data_34970 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34970 _Entry.Title ; NMR solution structure of OrfM from ICESt3 of Streptococcus thermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-10 _Entry.Accession_date 2024-12-10 _Entry.Last_release_date 2025-10-28 _Entry.Original_release_date 2025-10-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Tsan P. . . . 34970 2 J. Cappele J. . . . 34970 3 H. Laroussi H. . . . 34970 4 E. Clement E. . . . 34970 5 F. Favier F. . . . 34970 6 C. Didierjean C. . . . 34970 7 N. Soler N. . . . 34970 8 N. Leblond-Bourget N. . . . 34970 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ICE . 34970 'NUCLEAR PROTEIN' . 34970 'OB fold' . 34970 conjugation . 34970 relaxosome . 34970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 34970 '15N chemical shifts' 94 34970 '1H chemical shifts' 643 34970 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-10-31 . original BMRB . 34970 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9HNJ 'BMRB Entry Tracking System' 34970 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34970 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Two OB-fold proteins from a Gram-positive conjugative element engage in relaxosome assembly and DNA processing ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2025 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Laroussi H. . . . 34970 1 2 R. Maffo-Woulefack R. . . . 34970 1 3 J. Cappele J. . . . 34970 1 4 H. Sekkouri-Alaoui H. . . . 34970 1 5 L. Lessure L. . . . 34970 1 6 M. Zahaf M. . . . 34970 1 7 J.-M. Girardet . . . . 34970 1 8 E. Clement E. . . . 34970 1 9 L. Thiriet L. . . . 34970 1 10 S. Bertin S. . . . 34970 1 11 Y. Roussel Y. . . . 34970 1 12 B. Douzi B. . . . 34970 1 13 C. Didierjean C. . . . 34970 1 14 F. Favier F. . . . 34970 1 15 P. Tsan P. . . . 34970 1 16 N. Leblond-Bourget N. . . . 34970 1 17 N. Soler N. . . . 34970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34970 _Assembly.ID 1 _Assembly.Name 'Transfer protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIPETLVMKPDFIGPAYYEK LGNAPRFIFGKEGKYQRHIL NSEKHGAFHVITPASTTVFP EDALVEVVNPIFLSDTALNG NSVAPALNVFAEKLVLKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10826.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details OrfM _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID OrfM common 34970 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34970 1 2 . ILE . 34970 1 3 . PRO . 34970 1 4 . GLU . 34970 1 5 . THR . 34970 1 6 . LEU . 34970 1 7 . VAL . 34970 1 8 . MET . 34970 1 9 . LYS . 34970 1 10 . PRO . 34970 1 11 . ASP . 34970 1 12 . PHE . 34970 1 13 . ILE . 34970 1 14 . GLY . 34970 1 15 . PRO . 34970 1 16 . ALA . 34970 1 17 . TYR . 34970 1 18 . TYR . 34970 1 19 . GLU . 34970 1 20 . LYS . 34970 1 21 . LEU . 34970 1 22 . GLY . 34970 1 23 . ASN . 34970 1 24 . ALA . 34970 1 25 . PRO . 34970 1 26 . ARG . 34970 1 27 . PHE . 34970 1 28 . ILE . 34970 1 29 . PHE . 34970 1 30 . GLY . 34970 1 31 . LYS . 34970 1 32 . GLU . 34970 1 33 . GLY . 34970 1 34 . LYS . 34970 1 35 . TYR . 34970 1 36 . GLN . 34970 1 37 . ARG . 34970 1 38 . HIS . 34970 1 39 . ILE . 34970 1 40 . LEU . 34970 1 41 . ASN . 34970 1 42 . SER . 34970 1 43 . GLU . 34970 1 44 . LYS . 34970 1 45 . HIS . 34970 1 46 . GLY . 34970 1 47 . ALA . 34970 1 48 . PHE . 34970 1 49 . HIS . 34970 1 50 . VAL . 34970 1 51 . ILE . 34970 1 52 . THR . 34970 1 53 . PRO . 34970 1 54 . ALA . 34970 1 55 . SER . 34970 1 56 . THR . 34970 1 57 . THR . 34970 1 58 . VAL . 34970 1 59 . PHE . 34970 1 60 . PRO . 34970 1 61 . GLU . 34970 1 62 . ASP . 34970 1 63 . ALA . 34970 1 64 . LEU . 34970 1 65 . VAL . 34970 1 66 . GLU . 34970 1 67 . VAL . 34970 1 68 . VAL . 34970 1 69 . ASN . 34970 1 70 . PRO . 34970 1 71 . ILE . 34970 1 72 . PHE . 34970 1 73 . LEU . 34970 1 74 . SER . 34970 1 75 . ASP . 34970 1 76 . THR . 34970 1 77 . ALA . 34970 1 78 . LEU . 34970 1 79 . ASN . 34970 1 80 . GLY . 34970 1 81 . ASN . 34970 1 82 . SER . 34970 1 83 . VAL . 34970 1 84 . ALA . 34970 1 85 . PRO . 34970 1 86 . ALA . 34970 1 87 . LEU . 34970 1 88 . ASN . 34970 1 89 . VAL . 34970 1 90 . PHE . 34970 1 91 . ALA . 34970 1 92 . GLU . 34970 1 93 . LYS . 34970 1 94 . LEU . 34970 1 95 . VAL . 34970 1 96 . LEU . 34970 1 97 . LYS . 34970 1 98 . LYS . 34970 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34970 1 . ILE 2 2 34970 1 . PRO 3 3 34970 1 . GLU 4 4 34970 1 . THR 5 5 34970 1 . LEU 6 6 34970 1 . VAL 7 7 34970 1 . MET 8 8 34970 1 . LYS 9 9 34970 1 . PRO 10 10 34970 1 . ASP 11 11 34970 1 . PHE 12 12 34970 1 . ILE 13 13 34970 1 . GLY 14 14 34970 1 . PRO 15 15 34970 1 . ALA 16 16 34970 1 . TYR 17 17 34970 1 . TYR 18 18 34970 1 . GLU 19 19 34970 1 . LYS 20 20 34970 1 . LEU 21 21 34970 1 . GLY 22 22 34970 1 . ASN 23 23 34970 1 . ALA 24 24 34970 1 . PRO 25 25 34970 1 . ARG 26 26 34970 1 . PHE 27 27 34970 1 . ILE 28 28 34970 1 . PHE 29 29 34970 1 . GLY 30 30 34970 1 . LYS 31 31 34970 1 . GLU 32 32 34970 1 . GLY 33 33 34970 1 . LYS 34 34 34970 1 . TYR 35 35 34970 1 . GLN 36 36 34970 1 . ARG 37 37 34970 1 . HIS 38 38 34970 1 . ILE 39 39 34970 1 . LEU 40 40 34970 1 . ASN 41 41 34970 1 . SER 42 42 34970 1 . GLU 43 43 34970 1 . LYS 44 44 34970 1 . HIS 45 45 34970 1 . GLY 46 46 34970 1 . ALA 47 47 34970 1 . PHE 48 48 34970 1 . HIS 49 49 34970 1 . VAL 50 50 34970 1 . ILE 51 51 34970 1 . THR 52 52 34970 1 . PRO 53 53 34970 1 . ALA 54 54 34970 1 . SER 55 55 34970 1 . THR 56 56 34970 1 . THR 57 57 34970 1 . VAL 58 58 34970 1 . PHE 59 59 34970 1 . PRO 60 60 34970 1 . GLU 61 61 34970 1 . ASP 62 62 34970 1 . ALA 63 63 34970 1 . LEU 64 64 34970 1 . VAL 65 65 34970 1 . GLU 66 66 34970 1 . VAL 67 67 34970 1 . VAL 68 68 34970 1 . ASN 69 69 34970 1 . PRO 70 70 34970 1 . ILE 71 71 34970 1 . PHE 72 72 34970 1 . LEU 73 73 34970 1 . SER 74 74 34970 1 . ASP 75 75 34970 1 . THR 76 76 34970 1 . ALA 77 77 34970 1 . LEU 78 78 34970 1 . ASN 79 79 34970 1 . GLY 80 80 34970 1 . ASN 81 81 34970 1 . SER 82 82 34970 1 . VAL 83 83 34970 1 . ALA 84 84 34970 1 . PRO 85 85 34970 1 . ALA 86 86 34970 1 . LEU 87 87 34970 1 . ASN 88 88 34970 1 . VAL 89 89 34970 1 . PHE 90 90 34970 1 . ALA 91 91 34970 1 . GLU 92 92 34970 1 . LYS 93 93 34970 1 . LEU 94 94 34970 1 . VAL 95 95 34970 1 . LEU 96 96 34970 1 . LYS 97 97 34970 1 . LYS 98 98 34970 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34970 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1308 organism . 'Streptococcus thermophilus' 'Streptococcus thermophilus' . . Bacteria . Streptococcus thermophilus . . . . . . . . . . . STHERMO_2063 . 34970 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34970 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34970 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.545 mM [U-13C; U-15N] OrfM, 20 mM HEPES, 100 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OrfM '[U-13C; U-15N]' . . 1 $entity_1 . . 0.545 . . mM . . . . 34970 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34970 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34970 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34970 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.15 mM [U-15N] OrfM, 20 mM potassium phosphate, 200 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OrfM [U-15N] . . 1 $entity_1 . . 0.15 . . mM . . . . 34970 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34970 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34970 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34970 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34970 1 pH 1 . pH 34970 1 pressure 1 . atm 34970 1 temperature 298 . K 34970 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34970 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 34970 2 pH 6.5 . pH 34970 2 pressure 1 . atm 34970 2 temperature 298 . K 34970 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34970 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34970 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34970 1 'peak picking' . 34970 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34970 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34970 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34970 2 'structure calculation' . 34970 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34970 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 34970 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34970 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34970 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34970 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 0.251 . . . . . 34970 1 H 1 water 'methyl protons' . . . . ppm 4.78 internal direct 1 . . . . . 34970 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101 . . . . . 34970 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34970 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34970 1 2 '3D HNCO' . . . 34970 1 3 '3D HNCA' . . . 34970 1 4 '3D HN(CO)CA' . . . 34970 1 5 '3D HNCACB' . . . 34970 1 6 '3D 1H-15N NOESY' . . . 34970 1 7 '3D HBHA(CO)NH' . . . 34970 1 8 '3D H(CCO)NH' . . . 34970 1 9 '3D CBCA(CO)NH' . . . 34970 1 10 '3D 1H-15N TOCSY' . . . 34970 1 11 '3D 1H-13C NOESY' . . . 34970 1 12 '2D 1H-13C HSQC aromatic' . . . 34970 1 13 '2D 1H-13C HSQC aliphatic' . . . 34970 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HB2 H 1 1.868 0.01 . 1 . . 733 . A 1 MET HB2 . 34970 1 2 . 1 . 1 1 1 MET HB3 H 1 1.868 0.01 . 1 . . 1113 . A 1 MET HB3 . 34970 1 3 . 1 . 1 1 1 MET HG2 H 1 2.360 . . 2 . . 850 . A 1 MET HG2 . 34970 1 4 . 1 . 1 1 1 MET HG3 H 1 2.333 0.016 . 2 . . 1114 . A 1 MET HG3 . 34970 1 5 . 1 . 1 1 1 MET C C 13 174.705 0.664 . 1 . . 300 . A 1 MET C . 34970 1 6 . 1 . 1 1 1 MET CA C 13 55.412 . . 1 . . 367 . A 1 MET CA . 34970 1 7 . 1 . 1 1 1 MET CB C 13 32.697 0.034 . 1 . . 861 . A 1 MET CB . 34970 1 8 . 1 . 1 2 2 ILE H H 1 8.164 0.001 . 1 . . 79 . A 2 ILE H . 34970 1 9 . 1 . 1 2 2 ILE HA H 1 4.302 0.009 . 1 . . 713 . A 2 ILE HA . 34970 1 10 . 1 . 1 2 2 ILE HB H 1 1.698 0.007 . 1 . . 848 . A 2 ILE HB . 34970 1 11 . 1 . 1 2 2 ILE HG12 H 1 0.975 0.011 . 2 . . 852 . A 2 ILE HG12 . 34970 1 12 . 1 . 1 2 2 ILE HG13 H 1 0.979 0.013 . 2 . . 1057 . A 2 ILE HG13 . 34970 1 13 . 1 . 1 2 2 ILE HG21 H 1 0.753 0.013 . 1 . . 805 . A 2 ILE HG21 . 34970 1 14 . 1 . 1 2 2 ILE HG22 H 1 0.753 0.013 . 1 . . 805 . A 2 ILE HG22 . 34970 1 15 . 1 . 1 2 2 ILE HG23 H 1 0.753 0.013 . 1 . . 805 . A 2 ILE HG23 . 34970 1 16 . 1 . 1 2 2 ILE HD11 H 1 0.746 0.006 . 1 . . 851 . A 2 ILE HD11 . 34970 1 17 . 1 . 1 2 2 ILE HD12 H 1 0.746 0.006 . 1 . . 851 . A 2 ILE HD12 . 34970 1 18 . 1 . 1 2 2 ILE HD13 H 1 0.746 0.006 . 1 . . 851 . A 2 ILE HD13 . 34970 1 19 . 1 . 1 2 2 ILE C C 13 174.343 0.01 . 1 . . 864 . A 2 ILE C . 34970 1 20 . 1 . 1 2 2 ILE CA C 13 58.542 . . 1 . . 863 . A 2 ILE CA . 34970 1 21 . 1 . 1 2 2 ILE CB C 13 38.476 0.025 . 1 . . 862 . A 2 ILE CB . 34970 1 22 . 1 . 1 2 2 ILE N N 15 123.877 0.063 . 1 . . 80 . A 2 ILE N . 34970 1 23 . 1 . 1 3 3 PRO HA H 1 4.234 0.007 . 1 . . 371 . A 3 PRO HA . 34970 1 24 . 1 . 1 3 3 PRO HB2 H 1 1.755 0.014 . 2 . . 376 . A 3 PRO HB2 . 34970 1 25 . 1 . 1 3 3 PRO HB3 H 1 2.157 0.021 . 2 . . 377 . A 3 PRO HB3 . 34970 1 26 . 1 . 1 3 3 PRO HG2 H 1 1.837 . . 1 . . 1003 . A 3 PRO HG2 . 34970 1 27 . 1 . 1 3 3 PRO HG3 H 1 1.837 . . 1 . . 1004 . A 3 PRO HG3 . 34970 1 28 . 1 . 1 3 3 PRO C C 13 176.879 . . 1 . . 299 . A 3 PRO C . 34970 1 29 . 1 . 1 3 3 PRO CA C 13 63.269 0.026 . 1 . . 375 . A 3 PRO CA . 34970 1 30 . 1 . 1 3 3 PRO CB C 13 31.989 0.021 . 1 . . 373 . A 3 PRO CB . 34970 1 31 . 1 . 1 3 3 PRO CG C 13 27.692 . . 1 . . 1005 . A 3 PRO CG . 34970 1 32 . 1 . 1 4 4 GLU H H 1 8.507 0.008 . 1 . . 9 . A 4 GLU H . 34970 1 33 . 1 . 1 4 4 GLU HA H 1 4.066 0.01 . 1 . . 223 . A 4 GLU HA . 34970 1 34 . 1 . 1 4 4 GLU HB2 H 1 1.873 0.005 . 2 . . 379 . A 4 GLU HB2 . 34970 1 35 . 1 . 1 4 4 GLU HB3 H 1 1.872 0.002 . 2 . . 729 . A 4 GLU HB3 . 34970 1 36 . 1 . 1 4 4 GLU HG2 H 1 2.159 0.012 . 2 . . 378 . A 4 GLU HG2 . 34970 1 37 . 1 . 1 4 4 GLU HG3 H 1 2.155 0.003 . 2 . . 728 . A 4 GLU HG3 . 34970 1 38 . 1 . 1 4 4 GLU C C 13 176.824 0.01 . 1 . . 380 . A 4 GLU C . 34970 1 39 . 1 . 1 4 4 GLU CA C 13 57.496 0.04 . 1 . . 374 . A 4 GLU CA . 34970 1 40 . 1 . 1 4 4 GLU CB C 13 29.926 0.034 . 1 . . 372 . A 4 GLU CB . 34970 1 41 . 1 . 1 4 4 GLU CG C 13 36.811 . . 1 . . 1001 . A 4 GLU CG . 34970 1 42 . 1 . 1 4 4 GLU N N 15 121.055 0.025 . 1 . . 10 . A 4 GLU N . 34970 1 43 . 1 . 1 5 5 THR H H 1 7.850 0.004 . 1 . . 107 . A 5 THR H . 34970 1 44 . 1 . 1 5 5 THR HA H 1 4.179 0.014 . 1 . . 382 . A 5 THR HA . 34970 1 45 . 1 . 1 5 5 THR HB H 1 4.090 . . 1 . . 584 . A 5 THR HB . 34970 1 46 . 1 . 1 5 5 THR HG21 H 1 1.065 0.009 . 1 . . 381 . A 5 THR HG21 . 34970 1 47 . 1 . 1 5 5 THR HG22 H 1 1.065 0.009 . 1 . . 381 . A 5 THR HG22 . 34970 1 48 . 1 . 1 5 5 THR HG23 H 1 1.065 0.009 . 1 . . 381 . A 5 THR HG23 . 34970 1 49 . 1 . 1 5 5 THR C C 13 174.291 . . 1 . . 292 . A 5 THR C . 34970 1 50 . 1 . 1 5 5 THR CA C 13 62.036 0.029 . 1 . . 383 . A 5 THR CA . 34970 1 51 . 1 . 1 5 5 THR CB C 13 69.516 0.029 . 1 . . 384 . A 5 THR CB . 34970 1 52 . 1 . 1 5 5 THR CG2 C 13 22.087 . . 1 . . 1000 . A 5 THR CG2 . 34970 1 53 . 1 . 1 5 5 THR N N 15 112.987 0.065 . 1 . . 108 . A 5 THR N . 34970 1 54 . 1 . 1 6 6 LEU H H 1 8.012 0.004 . 1 . . 144 . A 6 LEU H . 34970 1 55 . 1 . 1 6 6 LEU HA H 1 4.302 . . 1 . . 715 . A 6 LEU HA . 34970 1 56 . 1 . 1 6 6 LEU HB2 H 1 1.492 0.008 . 1 . . 734 . A 6 LEU HB2 . 34970 1 57 . 1 . 1 6 6 LEU HB3 H 1 1.492 0.008 . 1 . . 735 . A 6 LEU HB3 . 34970 1 58 . 1 . 1 6 6 LEU HG H 1 1.859 . . 1 . . 738 . A 6 LEU HG . 34970 1 59 . 1 . 1 6 6 LEU HD11 H 1 0.760 0.008 . 2 . . 736 . A 6 LEU HD11 . 34970 1 60 . 1 . 1 6 6 LEU HD12 H 1 0.760 0.008 . 2 . . 736 . A 6 LEU HD12 . 34970 1 61 . 1 . 1 6 6 LEU HD13 H 1 0.760 0.008 . 2 . . 736 . A 6 LEU HD13 . 34970 1 62 . 1 . 1 6 6 LEU HD21 H 1 0.759 0.008 . 2 . . 737 . A 6 LEU HD21 . 34970 1 63 . 1 . 1 6 6 LEU HD22 H 1 0.759 0.008 . 2 . . 737 . A 6 LEU HD22 . 34970 1 64 . 1 . 1 6 6 LEU HD23 H 1 0.759 0.008 . 2 . . 737 . A 6 LEU HD23 . 34970 1 65 . 1 . 1 6 6 LEU C C 13 176.407 . . 1 . . 286 . A 6 LEU C . 34970 1 66 . 1 . 1 6 6 LEU CA C 13 55.188 0.094 . 1 . . 387 . A 6 LEU CA . 34970 1 67 . 1 . 1 6 6 LEU CB C 13 42.334 . . 1 . . 386 . A 6 LEU CB . 34970 1 68 . 1 . 1 6 6 LEU CG C 13 26.945 . . 1 . . 997 . A 6 LEU CG . 34970 1 69 . 1 . 1 6 6 LEU CD1 C 13 25.674 . . 1 . . 998 . A 6 LEU CD1 . 34970 1 70 . 1 . 1 6 6 LEU CD2 C 13 25.674 . . 1 . . 999 . A 6 LEU CD2 . 34970 1 71 . 1 . 1 6 6 LEU N N 15 123.645 0.05 . 1 . . 145 . A 6 LEU N . 34970 1 72 . 1 . 1 7 7 VAL H H 1 7.724 0.007 . 1 . . 105 . A 7 VAL H . 34970 1 73 . 1 . 1 7 7 VAL HA H 1 3.900 0.012 . 1 . . 499 . A 7 VAL HA . 34970 1 74 . 1 . 1 7 7 VAL HB H 1 1.896 0.008 . 1 . . 586 . A 7 VAL HB . 34970 1 75 . 1 . 1 7 7 VAL HG11 H 1 0.808 0.01 . 2 . . 585 . A 7 VAL HG11 . 34970 1 76 . 1 . 1 7 7 VAL HG12 H 1 0.808 0.01 . 2 . . 585 . A 7 VAL HG12 . 34970 1 77 . 1 . 1 7 7 VAL HG13 H 1 0.808 0.01 . 2 . . 585 . A 7 VAL HG13 . 34970 1 78 . 1 . 1 7 7 VAL HG21 H 1 0.813 . . 2 . . 731 . A 7 VAL HG21 . 34970 1 79 . 1 . 1 7 7 VAL HG22 H 1 0.813 . . 2 . . 731 . A 7 VAL HG22 . 34970 1 80 . 1 . 1 7 7 VAL HG23 H 1 0.813 . . 2 . . 731 . A 7 VAL HG23 . 34970 1 81 . 1 . 1 7 7 VAL C C 13 175.827 0.025 . 1 . . 222 . A 7 VAL C . 34970 1 82 . 1 . 1 7 7 VAL CA C 13 62.611 0.023 . 1 . . 220 . A 7 VAL CA . 34970 1 83 . 1 . 1 7 7 VAL CB C 13 32.448 0.05 . 1 . . 221 . A 7 VAL CB . 34970 1 84 . 1 . 1 7 7 VAL CG1 C 13 21.264 . . 1 . . 995 . A 7 VAL CG1 . 34970 1 85 . 1 . 1 7 7 VAL CG2 C 13 21.264 . . 1 . . 996 . A 7 VAL CG2 . 34970 1 86 . 1 . 1 7 7 VAL N N 15 120.955 0.086 . 1 . . 106 . A 7 VAL N . 34970 1 87 . 1 . 1 8 8 MET H H 1 8.179 0.007 . 1 . . 150 . A 8 MET H . 34970 1 88 . 1 . 1 8 8 MET HA H 1 4.274 0.009 . 1 . . 500 . A 8 MET HA . 34970 1 89 . 1 . 1 8 8 MET HB2 H 1 1.829 0.01 . 2 . . 588 . A 8 MET HB2 . 34970 1 90 . 1 . 1 8 8 MET HB3 H 1 1.656 0.006 . 2 . . 739 . A 8 MET HB3 . 34970 1 91 . 1 . 1 8 8 MET HG2 H 1 2.211 0.007 . 2 . . 587 . A 8 MET HG2 . 34970 1 92 . 1 . 1 8 8 MET HG3 H 1 2.206 0.007 . 2 . . 730 . A 8 MET HG3 . 34970 1 93 . 1 . 1 8 8 MET C C 13 175.488 0.003 . 1 . . 466 . A 8 MET C . 34970 1 94 . 1 . 1 8 8 MET CA C 13 54.978 0.013 . 1 . . 274 . A 8 MET CA . 34970 1 95 . 1 . 1 8 8 MET CB C 13 33.478 0.034 . 1 . . 273 . A 8 MET CB . 34970 1 96 . 1 . 1 8 8 MET CG C 13 31.919 0.011 . 1 . . 994 . A 8 MET CG . 34970 1 97 . 1 . 1 8 8 MET N N 15 125.061 0.042 . 1 . . 151 . A 8 MET N . 34970 1 98 . 1 . 1 9 9 LYS H H 1 8.301 0.007 . 1 . . 109 . A 9 LYS H . 34970 1 99 . 1 . 1 9 9 LYS HA H 1 4.486 0.005 . 1 . . 501 . A 9 LYS HA . 34970 1 100 . 1 . 1 9 9 LYS HB2 H 1 1.883 . . 2 . . 590 . A 9 LYS HB2 . 34970 1 101 . 1 . 1 9 9 LYS HB3 H 1 1.665 0.011 . 2 . . 591 . A 9 LYS HB3 . 34970 1 102 . 1 . 1 9 9 LYS HG2 H 1 1.451 0.005 . 1 . . 592 . A 9 LYS HG2 . 34970 1 103 . 1 . 1 9 9 LYS HG3 H 1 1.451 0.005 . 1 . . 743 . A 9 LYS HG3 . 34970 1 104 . 1 . 1 9 9 LYS HE2 H 1 3.219 . . 1 . . 741 . A 9 LYS HE2 . 34970 1 105 . 1 . 1 9 9 LYS HE3 H 1 3.219 . . 1 . . 742 . A 9 LYS HE3 . 34970 1 106 . 1 . 1 9 9 LYS C C 13 175.537 . . 1 . . 471 . A 9 LYS C . 34970 1 107 . 1 . 1 9 9 LYS CA C 13 54.582 0.11 . 1 . . 389 . A 9 LYS CA . 34970 1 108 . 1 . 1 9 9 LYS CB C 13 32.098 0.059 . 1 . . 388 . A 9 LYS CB . 34970 1 109 . 1 . 1 9 9 LYS N N 15 123.900 0.053 . 1 . . 110 . A 9 LYS N . 34970 1 110 . 1 . 1 10 10 PRO HA H 1 4.233 0.005 . 1 . . 503 . A 10 PRO HA . 34970 1 111 . 1 . 1 10 10 PRO HB2 H 1 1.848 0.014 . 2 . . 744 . A 10 PRO HB2 . 34970 1 112 . 1 . 1 10 10 PRO HB3 H 1 2.226 0.006 . 2 . . 745 . A 10 PRO HB3 . 34970 1 113 . 1 . 1 10 10 PRO HD2 H 1 3.747 0.02 . 2 . . 746 . A 10 PRO HD2 . 34970 1 114 . 1 . 1 10 10 PRO HD3 H 1 3.618 . . 2 . . 747 . A 10 PRO HD3 . 34970 1 115 . 1 . 1 10 10 PRO C C 13 176.802 . . 1 . . 467 . A 10 PRO C . 34970 1 116 . 1 . 1 10 10 PRO CA C 13 64.436 0.03 . 1 . . 391 . A 10 PRO CA . 34970 1 117 . 1 . 1 10 10 PRO CB C 13 31.834 0.07 . 1 . . 390 . A 10 PRO CB . 34970 1 118 . 1 . 1 10 10 PRO CG C 13 29.557 . . 1 . . 993 . A 10 PRO CG . 34970 1 119 . 1 . 1 11 11 ASP H H 1 8.308 0.008 . 1 . . 167 . A 11 ASP H . 34970 1 120 . 1 . 1 11 11 ASP HA H 1 4.459 0.006 . 1 . . 502 . A 11 ASP HA . 34970 1 121 . 1 . 1 11 11 ASP HB2 H 1 2.621 0.023 . 2 . . 593 . A 11 ASP HB2 . 34970 1 122 . 1 . 1 11 11 ASP HB3 H 1 2.573 0.018 . 2 . . 594 . A 11 ASP HB3 . 34970 1 123 . 1 . 1 11 11 ASP C C 13 176.193 0.028 . 1 . . 307 . A 11 ASP C . 34970 1 124 . 1 . 1 11 11 ASP CA C 13 53.700 0.024 . 1 . . 322 . A 11 ASP CA . 34970 1 125 . 1 . 1 11 11 ASP CB C 13 40.126 0.026 . 1 . . 323 . A 11 ASP CB . 34970 1 126 . 1 . 1 11 11 ASP N N 15 116.517 0.051 . 1 . . 168 . A 11 ASP N . 34970 1 127 . 1 . 1 12 12 PHE H H 1 7.807 0.01 . 1 . . 68 . A 12 PHE H . 34970 1 128 . 1 . 1 12 12 PHE HA H 1 4.172 0.004 . 1 . . 504 . A 12 PHE HA . 34970 1 129 . 1 . 1 12 12 PHE HB2 H 1 2.918 0.013 . 2 . . 595 . A 12 PHE HB2 . 34970 1 130 . 1 . 1 12 12 PHE HB3 H 1 3.207 0.013 . 2 . . 748 . A 12 PHE HB3 . 34970 1 131 . 1 . 1 12 12 PHE HD1 H 1 7.046 0.011 . 1 . . 706 . A 12 PHE HD1 . 34970 1 132 . 1 . 1 12 12 PHE HD2 H 1 7.046 0.011 . 1 . . 706 . A 12 PHE HD2 . 34970 1 133 . 1 . 1 12 12 PHE HE1 H 1 7.040 . . 1 . . 1024 . A 12 PHE HE1 . 34970 1 134 . 1 . 1 12 12 PHE HE2 H 1 7.040 . . 1 . . 1024 . A 12 PHE HE2 . 34970 1 135 . 1 . 1 12 12 PHE C C 13 177.187 . . 1 . . 308 . A 12 PHE C . 34970 1 136 . 1 . 1 12 12 PHE CA C 13 60.418 0.086 . 1 . . 331 . A 12 PHE CA . 34970 1 137 . 1 . 1 12 12 PHE CB C 13 39.967 0.065 . 1 . . 392 . A 12 PHE CB . 34970 1 138 . 1 . 1 12 12 PHE CD1 C 13 129.061 . . 1 . . 1022 . A 12 PHE CD1 . 34970 1 139 . 1 . 1 12 12 PHE CD2 C 13 129.061 . . 1 . . 1022 . A 12 PHE CD2 . 34970 1 140 . 1 . 1 12 12 PHE CE1 C 13 128.516 . . 1 . . 1023 . A 12 PHE CE1 . 34970 1 141 . 1 . 1 12 12 PHE CE2 C 13 128.516 . . 1 . . 1023 . A 12 PHE CE2 . 34970 1 142 . 1 . 1 12 12 PHE N N 15 120.435 0.035 . 1 . . 69 . A 12 PHE N . 34970 1 143 . 1 . 1 13 13 ILE H H 1 8.292 0.007 . 1 . . 133 . A 13 ILE H . 34970 1 144 . 1 . 1 13 13 ILE HA H 1 3.317 0.014 . 1 . . 505 . A 13 ILE HA . 34970 1 145 . 1 . 1 13 13 ILE HB H 1 1.827 0.004 . 1 . . 597 . A 13 ILE HB . 34970 1 146 . 1 . 1 13 13 ILE HG12 H 1 1.459 0.004 . 1 . . 749 . A 13 ILE HG12 . 34970 1 147 . 1 . 1 13 13 ILE HG13 H 1 1.459 0.004 . 1 . . 750 . A 13 ILE HG13 . 34970 1 148 . 1 . 1 13 13 ILE HG21 H 1 0.754 0.02 . 1 . . 751 . A 13 ILE HG21 . 34970 1 149 . 1 . 1 13 13 ILE HG22 H 1 0.754 0.02 . 1 . . 751 . A 13 ILE HG22 . 34970 1 150 . 1 . 1 13 13 ILE HG23 H 1 0.754 0.02 . 1 . . 751 . A 13 ILE HG23 . 34970 1 151 . 1 . 1 13 13 ILE HD11 H 1 0.507 0.003 . 1 . . 752 . A 13 ILE HD11 . 34970 1 152 . 1 . 1 13 13 ILE HD12 H 1 0.507 0.003 . 1 . . 752 . A 13 ILE HD12 . 34970 1 153 . 1 . 1 13 13 ILE HD13 H 1 0.507 0.003 . 1 . . 752 . A 13 ILE HD13 . 34970 1 154 . 1 . 1 13 13 ILE C C 13 176.852 0.006 . 1 . . 244 . A 13 ILE C . 34970 1 155 . 1 . 1 13 13 ILE CA C 13 63.595 0.046 . 1 . . 243 . A 13 ILE CA . 34970 1 156 . 1 . 1 13 13 ILE CB C 13 37.315 0.097 . 1 . . 393 . A 13 ILE CB . 34970 1 157 . 1 . 1 13 13 ILE N N 15 119.978 0.053 . 1 . . 134 . A 13 ILE N . 34970 1 158 . 1 . 1 14 14 GLY H H 1 8.009 0.004 . 1 . . 121 . A 14 GLY H . 34970 1 159 . 1 . 1 14 14 GLY HA2 H 1 3.992 0.006 . 2 . . 506 . A 14 GLY HA2 . 34970 1 160 . 1 . 1 14 14 GLY HA3 H 1 3.794 0.01 . 2 . . 507 . A 14 GLY HA3 . 34970 1 161 . 1 . 1 14 14 GLY C C 13 170.574 . . 1 . . 866 . A 14 GLY C . 34970 1 162 . 1 . 1 14 14 GLY CA C 13 44.397 0.035 . 1 . . 394 . A 14 GLY CA . 34970 1 163 . 1 . 1 14 14 GLY N N 15 107.053 0.034 . 1 . . 122 . A 14 GLY N . 34970 1 164 . 1 . 1 15 15 PRO HA H 1 4.438 0.002 . 1 . . 665 . A 15 PRO HA . 34970 1 165 . 1 . 1 15 15 PRO HB2 H 1 1.979 0.007 . 2 . . 758 . A 15 PRO HB2 . 34970 1 166 . 1 . 1 15 15 PRO HB3 H 1 1.561 . . 2 . . 759 . A 15 PRO HB3 . 34970 1 167 . 1 . 1 15 15 PRO HG2 H 1 1.684 . . 1 . . 760 . A 15 PRO HG2 . 34970 1 168 . 1 . 1 15 15 PRO HG3 H 1 1.684 . . 1 . . 761 . A 15 PRO HG3 . 34970 1 169 . 1 . 1 15 15 PRO HD2 H 1 3.453 0.02 . 2 . . 762 . A 15 PRO HD2 . 34970 1 170 . 1 . 1 15 15 PRO HD3 H 1 3.453 0.02 . 2 . . 763 . A 15 PRO HD3 . 34970 1 171 . 1 . 1 15 15 PRO C C 13 176.677 . . 1 . . 568 . A 15 PRO C . 34970 1 172 . 1 . 1 15 15 PRO CA C 13 63.157 0.093 . 1 . . 396 . A 15 PRO CA . 34970 1 173 . 1 . 1 15 15 PRO CB C 13 32.063 . . 1 . . 395 . A 15 PRO CB . 34970 1 174 . 1 . 1 15 15 PRO CG C 13 27.916 . . 1 . . 981 . A 15 PRO CG . 34970 1 175 . 1 . 1 16 16 ALA H H 1 8.305 0.007 . 1 . . 260 . A 16 ALA H . 34970 1 176 . 1 . 1 16 16 ALA HA H 1 4.808 0.013 . 1 . . 216 . A 16 ALA HA . 34970 1 177 . 1 . 1 16 16 ALA HB1 H 1 1.231 0.019 . 1 . . 215 . A 16 ALA HB1 . 34970 1 178 . 1 . 1 16 16 ALA HB2 H 1 1.231 0.019 . 1 . . 215 . A 16 ALA HB2 . 34970 1 179 . 1 . 1 16 16 ALA HB3 H 1 1.231 0.019 . 1 . . 215 . A 16 ALA HB3 . 34970 1 180 . 1 . 1 16 16 ALA C C 13 173.335 0.01 . 1 . . 478 . A 16 ALA C . 34970 1 181 . 1 . 1 16 16 ALA CA C 13 50.648 0.025 . 1 . . 214 . A 16 ALA CA . 34970 1 182 . 1 . 1 16 16 ALA CB C 13 22.871 0.052 . 1 . . 397 . A 16 ALA CB . 34970 1 183 . 1 . 1 16 16 ALA N N 15 126.840 0.077 . 1 . . 261 . A 16 ALA N . 34970 1 184 . 1 . 1 17 17 TYR H H 1 8.716 0.006 . 1 . . 117 . A 17 TYR H . 34970 1 185 . 1 . 1 17 17 TYR HA H 1 5.072 0.013 . 1 . . 186 . A 17 TYR HA . 34970 1 186 . 1 . 1 17 17 TYR HB2 H 1 2.681 0.01 . 2 . . 598 . A 17 TYR HB2 . 34970 1 187 . 1 . 1 17 17 TYR HB3 H 1 2.681 0.01 . 2 . . 753 . A 17 TYR HB3 . 34970 1 188 . 1 . 1 17 17 TYR HD1 H 1 7.029 0.013 . 1 . . 707 . A 17 TYR HD1 . 34970 1 189 . 1 . 1 17 17 TYR HD2 H 1 7.029 0.013 . 1 . . 707 . A 17 TYR HD2 . 34970 1 190 . 1 . 1 17 17 TYR HE1 H 1 6.697 0.011 . 1 . . 708 . A 17 TYR HE1 . 34970 1 191 . 1 . 1 17 17 TYR HE2 H 1 6.697 0.011 . 1 . . 708 . A 17 TYR HE2 . 34970 1 192 . 1 . 1 17 17 TYR C C 13 176.307 0.012 . 1 . . 183 . A 17 TYR C . 34970 1 193 . 1 . 1 17 17 TYR CA C 13 56.573 0.042 . 1 . . 185 . A 17 TYR CA . 34970 1 194 . 1 . 1 17 17 TYR CB C 13 40.757 0.002 . 1 . . 184 . A 17 TYR CB . 34970 1 195 . 1 . 1 17 17 TYR CD1 C 13 131.365 . . 1 . . 1016 . A 17 TYR CD1 . 34970 1 196 . 1 . 1 17 17 TYR CD2 C 13 131.365 . . 1 . . 1016 . A 17 TYR CD2 . 34970 1 197 . 1 . 1 17 17 TYR CE1 C 13 115.882 . . 1 . . 1014 . A 17 TYR CE1 . 34970 1 198 . 1 . 1 17 17 TYR CE2 C 13 115.882 . . 1 . . 1014 . A 17 TYR CE2 . 34970 1 199 . 1 . 1 17 17 TYR N N 15 117.812 0.029 . 1 . . 118 . A 17 TYR N . 34970 1 200 . 1 . 1 18 18 TYR H H 1 9.471 0.008 . 1 . . 39 . A 18 TYR H . 34970 1 201 . 1 . 1 18 18 TYR HA H 1 3.704 0.009 . 1 . . 213 . A 18 TYR HA . 34970 1 202 . 1 . 1 18 18 TYR HB2 H 1 3.329 0.015 . 2 . . 599 . A 18 TYR HB2 . 34970 1 203 . 1 . 1 18 18 TYR HB3 H 1 2.528 0.015 . 2 . . 757 . A 18 TYR HB3 . 34970 1 204 . 1 . 1 18 18 TYR HD1 H 1 6.205 0.008 . 1 . . 709 . A 18 TYR HD1 . 34970 1 205 . 1 . 1 18 18 TYR HD2 H 1 6.205 0.008 . 1 . . 709 . A 18 TYR HD2 . 34970 1 206 . 1 . 1 18 18 TYR HE1 H 1 6.410 0.015 . 1 . . 877 . A 18 TYR HE1 . 34970 1 207 . 1 . 1 18 18 TYR HE2 H 1 6.410 0.015 . 1 . . 877 . A 18 TYR HE2 . 34970 1 208 . 1 . 1 18 18 TYR C C 13 175.720 0.004 . 1 . . 212 . A 18 TYR C . 34970 1 209 . 1 . 1 18 18 TYR CA C 13 61.379 0.044 . 1 . . 210 . A 18 TYR CA . 34970 1 210 . 1 . 1 18 18 TYR CB C 13 39.891 0.03 . 1 . . 211 . A 18 TYR CB . 34970 1 211 . 1 . 1 18 18 TYR CD1 C 13 130.498 . . 1 . . 1011 . A 18 TYR CD1 . 34970 1 212 . 1 . 1 18 18 TYR CD2 C 13 130.498 . . 1 . . 1011 . A 18 TYR CD2 . 34970 1 213 . 1 . 1 18 18 TYR CE1 C 13 115.902 . . 1 . . 1015 . A 18 TYR CE1 . 34970 1 214 . 1 . 1 18 18 TYR CE2 C 13 115.902 . . 1 . . 1015 . A 18 TYR CE2 . 34970 1 215 . 1 . 1 18 18 TYR N N 15 125.627 0.049 . 1 . . 40 . A 18 TYR N . 34970 1 216 . 1 . 1 19 19 GLU H H 1 8.218 0.008 . 1 . . 87 . A 19 GLU H . 34970 1 217 . 1 . 1 19 19 GLU HA H 1 4.648 0.012 . 1 . . 510 . A 19 GLU HA . 34970 1 218 . 1 . 1 19 19 GLU HB2 H 1 1.694 0.017 . 2 . . 600 . A 19 GLU HB2 . 34970 1 219 . 1 . 1 19 19 GLU HB3 H 1 1.565 0.012 . 2 . . 756 . A 19 GLU HB3 . 34970 1 220 . 1 . 1 19 19 GLU HG2 H 1 2.064 0.008 . 2 . . 601 . A 19 GLU HG2 . 34970 1 221 . 1 . 1 19 19 GLU HG3 H 1 2.065 0.008 . 2 . . 755 . A 19 GLU HG3 . 34970 1 222 . 1 . 1 19 19 GLU C C 13 174.672 0.016 . 1 . . 207 . A 19 GLU C . 34970 1 223 . 1 . 1 19 19 GLU CA C 13 58.504 0.026 . 1 . . 208 . A 19 GLU CA . 34970 1 224 . 1 . 1 19 19 GLU CB C 13 30.945 0.029 . 1 . . 209 . A 19 GLU CB . 34970 1 225 . 1 . 1 19 19 GLU CG C 13 36.979 . . 1 . . 992 . A 19 GLU CG . 34970 1 226 . 1 . 1 19 19 GLU N N 15 129.241 0.054 . 1 . . 88 . A 19 GLU N . 34970 1 227 . 1 . 1 20 20 LYS H H 1 7.343 0.006 . 1 . . 52 . A 20 LYS H . 34970 1 228 . 1 . 1 20 20 LYS HA H 1 4.638 0.006 . 1 . . 511 . A 20 LYS HA . 34970 1 229 . 1 . 1 20 20 LYS HB2 H 1 1.994 0.01 . 2 . . 602 . A 20 LYS HB2 . 34970 1 230 . 1 . 1 20 20 LYS HB3 H 1 1.693 . . 2 . . 764 . A 20 LYS HB3 . 34970 1 231 . 1 . 1 20 20 LYS HG2 H 1 1.552 . . 1 . . 766 . A 20 LYS HG2 . 34970 1 232 . 1 . 1 20 20 LYS HG3 H 1 1.552 . . 1 . . 767 . A 20 LYS HG3 . 34970 1 233 . 1 . 1 20 20 LYS C C 13 172.906 0.001 . 1 . . 226 . A 20 LYS C . 34970 1 234 . 1 . 1 20 20 LYS CA C 13 55.173 0.072 . 1 . . 224 . A 20 LYS CA . 34970 1 235 . 1 . 1 20 20 LYS CB C 13 34.573 0.104 . 1 . . 225 . A 20 LYS CB . 34970 1 236 . 1 . 1 20 20 LYS CG C 13 22.273 . . 1 . . 991 . A 20 LYS CG . 34970 1 237 . 1 . 1 20 20 LYS CD C 13 29.579 . . 1 . . 990 . A 20 LYS CD . 34970 1 238 . 1 . 1 20 20 LYS N N 15 112.181 0.036 . 1 . . 53 . A 20 LYS N . 34970 1 239 . 1 . 1 21 21 LEU H H 1 8.372 0.007 . 1 . . 135 . A 21 LEU H . 34970 1 240 . 1 . 1 21 21 LEU HA H 1 4.693 0.013 . 1 . . 512 . A 21 LEU HA . 34970 1 241 . 1 . 1 21 21 LEU HB2 H 1 1.603 0.009 . 2 . . 603 . A 21 LEU HB2 . 34970 1 242 . 1 . 1 21 21 LEU HB3 H 1 1.688 0.007 . 2 . . 604 . A 21 LEU HB3 . 34970 1 243 . 1 . 1 21 21 LEU HG H 1 1.901 0.007 . 1 . . 768 . A 21 LEU HG . 34970 1 244 . 1 . 1 21 21 LEU HD11 H 1 0.813 0.008 . 2 . . 769 . A 21 LEU HD11 . 34970 1 245 . 1 . 1 21 21 LEU HD12 H 1 0.813 0.008 . 2 . . 769 . A 21 LEU HD12 . 34970 1 246 . 1 . 1 21 21 LEU HD13 H 1 0.813 0.008 . 2 . . 769 . A 21 LEU HD13 . 34970 1 247 . 1 . 1 21 21 LEU HD21 H 1 0.686 . . 2 . . 988 . A 21 LEU HD21 . 34970 1 248 . 1 . 1 21 21 LEU HD22 H 1 0.686 . . 2 . . 988 . A 21 LEU HD22 . 34970 1 249 . 1 . 1 21 21 LEU HD23 H 1 0.686 . . 2 . . 988 . A 21 LEU HD23 . 34970 1 250 . 1 . 1 21 21 LEU C C 13 178.645 0.004 . 1 . . 303 . A 21 LEU C . 34970 1 251 . 1 . 1 21 21 LEU CA C 13 54.990 0.004 . 1 . . 399 . A 21 LEU CA . 34970 1 252 . 1 . 1 21 21 LEU CB C 13 43.769 0.043 . 1 . . 398 . A 21 LEU CB . 34970 1 253 . 1 . 1 21 21 LEU CG C 13 25.244 . . 1 . . 989 . A 21 LEU CG . 34970 1 254 . 1 . 1 21 21 LEU N N 15 120.706 0.049 . 1 . . 136 . A 21 LEU N . 34970 1 255 . 1 . 1 22 22 GLY H H 1 8.889 0.006 . 1 . . 25 . A 22 GLY H . 34970 1 256 . 1 . 1 22 22 GLY HA2 H 1 4.424 0.027 . 2 . . 513 . A 22 GLY HA2 . 34970 1 257 . 1 . 1 22 22 GLY HA3 H 1 3.051 0.015 . 2 . . 514 . A 22 GLY HA3 . 34970 1 258 . 1 . 1 22 22 GLY C C 13 173.474 . . 1 . . 1120 . A 22 GLY C . 34970 1 259 . 1 . 1 22 22 GLY CA C 13 43.282 0.038 . 1 . . 400 . A 22 GLY CA . 34970 1 260 . 1 . 1 22 22 GLY N N 15 111.351 0.032 . 1 . . 26 . A 22 GLY N . 34970 1 261 . 1 . 1 23 23 ASN H H 1 8.844 0.009 . 1 . . 363 . A 23 ASN H . 34970 1 262 . 1 . 1 23 23 ASN HA H 1 4.444 . . 1 . . 1107 . A 23 ASN HA . 34970 1 263 . 1 . 1 23 23 ASN HB2 H 1 2.582 0.011 . 1 . . 1108 . A 23 ASN HB2 . 34970 1 264 . 1 . 1 23 23 ASN HD21 H 1 7.493 0.003 . 1 . . 7 . A 23 ASN HD21 . 34970 1 265 . 1 . 1 23 23 ASN HD22 H 1 6.896 0.007 . 1 . . 102 . A 23 ASN HD22 . 34970 1 266 . 1 . 1 23 23 ASN C C 13 174.703 . . 1 . . 1119 . A 23 ASN C . 34970 1 267 . 1 . 1 23 23 ASN CA C 13 53.158 0.015 . 1 . . 1115 . A 23 ASN CA . 34970 1 268 . 1 . 1 23 23 ASN N N 15 120.956 0.029 . 1 . . 364 . A 23 ASN N . 34970 1 269 . 1 . 1 23 23 ASN ND2 N 15 113.538 0.1 . 1 . . 8 . A 23 ASN ND2 . 34970 1 270 . 1 . 1 24 24 ALA H H 1 8.861 0.005 . 1 . . 357 . A 24 ALA H . 34970 1 271 . 1 . 1 24 24 ALA HA H 1 4.683 . . 1 . . 716 . A 24 ALA HA . 34970 1 272 . 1 . 1 24 24 ALA HB1 H 1 1.379 . . 1 . . 1118 . A 24 ALA HB1 . 34970 1 273 . 1 . 1 24 24 ALA HB2 H 1 1.379 . . 1 . . 1118 . A 24 ALA HB2 . 34970 1 274 . 1 . 1 24 24 ALA HB3 H 1 1.379 . . 1 . . 1118 . A 24 ALA HB3 . 34970 1 275 . 1 . 1 24 24 ALA CA C 13 50.850 . . 1 . . 1121 . A 24 ALA CA . 34970 1 276 . 1 . 1 24 24 ALA N N 15 129.709 0.004 . 1 . . 358 . A 24 ALA N . 34970 1 277 . 1 . 1 25 25 PRO HA H 1 4.649 0.013 . 1 . . 547 . A 25 PRO HA . 34970 1 278 . 1 . 1 25 25 PRO HB2 H 1 2.136 0.01 . 2 . . 822 . A 25 PRO HB2 . 34970 1 279 . 1 . 1 25 25 PRO HB3 H 1 2.128 0.006 . 2 . . 823 . A 25 PRO HB3 . 34970 1 280 . 1 . 1 25 25 PRO C C 13 175.678 . . 1 . . 290 . A 25 PRO C . 34970 1 281 . 1 . 1 25 25 PRO CA C 13 62.043 . . 1 . . 440 . A 25 PRO CA . 34970 1 282 . 1 . 1 25 25 PRO CB C 13 31.905 . . 1 . . 439 . A 25 PRO CB . 34970 1 283 . 1 . 1 26 26 ARG H H 1 8.602 0.009 . 1 . . 115 . A 26 ARG H . 34970 1 284 . 1 . 1 26 26 ARG HA H 1 4.244 0.02 . 1 . . 548 . A 26 ARG HA . 34970 1 285 . 1 . 1 26 26 ARG HB2 H 1 1.587 0.011 . 1 . . 818 . A 26 ARG HB2 . 34970 1 286 . 1 . 1 26 26 ARG HB3 H 1 1.587 0.011 . 1 . . 819 . A 26 ARG HB3 . 34970 1 287 . 1 . 1 26 26 ARG HG2 H 1 1.803 0.007 . 1 . . 820 . A 26 ARG HG2 . 34970 1 288 . 1 . 1 26 26 ARG HG3 H 1 1.803 0.007 . 1 . . 821 . A 26 ARG HG3 . 34970 1 289 . 1 . 1 26 26 ARG C C 13 174.277 . . 1 . . 289 . A 26 ARG C . 34970 1 290 . 1 . 1 26 26 ARG CA C 13 57.334 0.063 . 1 . . 441 . A 26 ARG CA . 34970 1 291 . 1 . 1 26 26 ARG CB C 13 31.860 0.038 . 1 . . 871 . A 26 ARG CB . 34970 1 292 . 1 . 1 26 26 ARG N N 15 120.435 0.042 . 1 . . 116 . A 26 ARG N . 34970 1 293 . 1 . 1 27 27 PHE H H 1 7.396 0.005 . 1 . . 100 . A 27 PHE H . 34970 1 294 . 1 . 1 27 27 PHE HA H 1 4.980 0.009 . 1 . . 549 . A 27 PHE HA . 34970 1 295 . 1 . 1 27 27 PHE HB2 H 1 2.663 0.01 . 2 . . 655 . A 27 PHE HB2 . 34970 1 296 . 1 . 1 27 27 PHE HB3 H 1 2.504 0.009 . 2 . . 656 . A 27 PHE HB3 . 34970 1 297 . 1 . 1 27 27 PHE HD1 H 1 6.886 0.003 . 1 . . 654 . A 27 PHE HD1 . 34970 1 298 . 1 . 1 27 27 PHE HD2 H 1 6.886 0.003 . 1 . . 654 . A 27 PHE HD2 . 34970 1 299 . 1 . 1 27 27 PHE HE1 H 1 7.185 0.006 . 1 . . 882 . A 27 PHE HE1 . 34970 1 300 . 1 . 1 27 27 PHE HE2 H 1 7.185 0.006 . 1 . . 882 . A 27 PHE HE2 . 34970 1 301 . 1 . 1 27 27 PHE C C 13 174.980 . . 1 . . 488 . A 27 PHE C . 34970 1 302 . 1 . 1 27 27 PHE CA C 13 56.046 0.04 . 1 . . 443 . A 27 PHE CA . 34970 1 303 . 1 . 1 27 27 PHE CB C 13 42.875 0.041 . 1 . . 442 . A 27 PHE CB . 34970 1 304 . 1 . 1 27 27 PHE CD1 C 13 129.762 . . 1 . . 1037 . A 27 PHE CD1 . 34970 1 305 . 1 . 1 27 27 PHE CD2 C 13 129.762 . . 1 . . 1037 . A 27 PHE CD2 . 34970 1 306 . 1 . 1 27 27 PHE CE1 C 13 129.096 . . 1 . . 1021 . A 27 PHE CE1 . 34970 1 307 . 1 . 1 27 27 PHE CE2 C 13 129.096 . . 1 . . 1021 . A 27 PHE CE2 . 34970 1 308 . 1 . 1 27 27 PHE N N 15 113.829 0.042 . 1 . . 101 . A 27 PHE N . 34970 1 309 . 1 . 1 28 28 ILE H H 1 7.696 0.004 . 1 . . 169 . A 28 ILE H . 34970 1 310 . 1 . 1 28 28 ILE HA H 1 3.870 0.001 . 1 . . 550 . A 28 ILE HA . 34970 1 311 . 1 . 1 28 28 ILE HB H 1 1.008 0.004 . 1 . . 658 . A 28 ILE HB . 34970 1 312 . 1 . 1 28 28 ILE HG21 H 1 0.212 0.01 . 1 . . 659 . A 28 ILE HG21 . 34970 1 313 . 1 . 1 28 28 ILE HG22 H 1 0.212 0.01 . 1 . . 659 . A 28 ILE HG22 . 34970 1 314 . 1 . 1 28 28 ILE HG23 H 1 0.212 0.01 . 1 . . 659 . A 28 ILE HG23 . 34970 1 315 . 1 . 1 28 28 ILE HD11 H 1 -0.223 0.014 . 1 . . 657 . A 28 ILE HD11 . 34970 1 316 . 1 . 1 28 28 ILE HD12 H 1 -0.223 0.014 . 1 . . 657 . A 28 ILE HD12 . 34970 1 317 . 1 . 1 28 28 ILE HD13 H 1 -0.223 0.014 . 1 . . 657 . A 28 ILE HD13 . 34970 1 318 . 1 . 1 28 28 ILE C C 13 172.660 . . 1 . . 342 . A 28 ILE C . 34970 1 319 . 1 . 1 28 28 ILE CA C 13 59.254 . . 1 . . 444 . A 28 ILE CA . 34970 1 320 . 1 . 1 28 28 ILE CB C 13 38.883 . . 1 . . 445 . A 28 ILE CB . 34970 1 321 . 1 . 1 28 28 ILE N N 15 119.589 0.025 . 1 . . 170 . A 28 ILE N . 34970 1 322 . 1 . 1 29 29 PHE H H 1 8.981 0.018 . 1 . . 355 . A 29 PHE H . 34970 1 323 . 1 . 1 29 29 PHE HA H 1 4.241 0.016 . 1 . . 515 . A 29 PHE HA . 34970 1 324 . 1 . 1 29 29 PHE HB2 H 1 3.225 . . 2 . . 784 . A 29 PHE HB2 . 34970 1 325 . 1 . 1 29 29 PHE HB3 H 1 2.945 0.026 . 2 . . 785 . A 29 PHE HB3 . 34970 1 326 . 1 . 1 29 29 PHE HD1 H 1 6.903 0.011 . 1 . . 720 . A 29 PHE HD1 . 34970 1 327 . 1 . 1 29 29 PHE HD2 H 1 6.903 0.011 . 1 . . 720 . A 29 PHE HD2 . 34970 1 328 . 1 . 1 29 29 PHE CD1 C 13 129.646 . . 1 . . 1038 . A 29 PHE CD1 . 34970 1 329 . 1 . 1 29 29 PHE CD2 C 13 129.646 . . 1 . . 1038 . A 29 PHE CD2 . 34970 1 330 . 1 . 1 29 29 PHE N N 15 125.405 0.04 . 1 . . 356 . A 29 PHE N . 34970 1 331 . 1 . 1 30 30 GLY H H 1 8.623 0.009 . 1 . . 353 . A 30 GLY H . 34970 1 332 . 1 . 1 30 30 GLY HA2 H 1 3.467 0.007 . 2 . . 516 . A 30 GLY HA2 . 34970 1 333 . 1 . 1 30 30 GLY HA3 H 1 3.998 0.003 . 2 . . 517 . A 30 GLY HA3 . 34970 1 334 . 1 . 1 30 30 GLY C C 13 173.782 . . 1 . . 296 . A 30 GLY C . 34970 1 335 . 1 . 1 30 30 GLY CA C 13 45.413 0.022 . 1 . . 787 . A 30 GLY CA . 34970 1 336 . 1 . 1 30 30 GLY N N 15 103.885 0.023 . 1 . . 354 . A 30 GLY N . 34970 1 337 . 1 . 1 31 31 LYS H H 1 7.953 0.006 . 1 . . 111 . A 31 LYS H . 34970 1 338 . 1 . 1 31 31 LYS HA H 1 4.675 0.01 . 1 . . 518 . A 31 LYS HA . 34970 1 339 . 1 . 1 31 31 LYS HB2 H 1 1.807 0.013 . 1 . . 721 . A 31 LYS HB2 . 34970 1 340 . 1 . 1 31 31 LYS HB3 H 1 1.807 0.013 . 1 . . 781 . A 31 LYS HB3 . 34970 1 341 . 1 . 1 31 31 LYS HG2 H 1 1.393 0.012 . 1 . . 723 . A 31 LYS HG2 . 34970 1 342 . 1 . 1 31 31 LYS HG3 H 1 1.393 0.012 . 1 . . 782 . A 31 LYS HG3 . 34970 1 343 . 1 . 1 31 31 LYS HD2 H 1 1.630 0.005 . 2 . . 722 . A 31 LYS HD2 . 34970 1 344 . 1 . 1 31 31 LYS HD3 H 1 1.630 0.005 . 2 . . 783 . A 31 LYS HD3 . 34970 1 345 . 1 . 1 31 31 LYS C C 13 176.624 . . 1 . . 473 . A 31 LYS C . 34970 1 346 . 1 . 1 31 31 LYS CA C 13 54.981 0.011 . 1 . . 403 . A 31 LYS CA . 34970 1 347 . 1 . 1 31 31 LYS CB C 13 33.739 0.047 . 1 . . 402 . A 31 LYS CB . 34970 1 348 . 1 . 1 31 31 LYS N N 15 120.918 0.067 . 1 . . 112 . A 31 LYS N . 34970 1 349 . 1 . 1 32 32 GLU H H 1 9.183 0.003 . 1 . . 359 . A 32 GLU H . 34970 1 350 . 1 . 1 32 32 GLU HA H 1 4.484 0.01 . 1 . . 718 . A 32 GLU HA . 34970 1 351 . 1 . 1 32 32 GLU HB2 H 1 1.798 0.001 . 1 . . 788 . A 32 GLU HB2 . 34970 1 352 . 1 . 1 32 32 GLU HB3 H 1 1.798 0.001 . 1 . . 789 . A 32 GLU HB3 . 34970 1 353 . 1 . 1 32 32 GLU HG2 H 1 1.950 0.006 . 1 . . 790 . A 32 GLU HG2 . 34970 1 354 . 1 . 1 32 32 GLU HG3 H 1 1.950 0.006 . 1 . . 791 . A 32 GLU HG3 . 34970 1 355 . 1 . 1 32 32 GLU C C 13 176.220 . . 1 . . 474 . A 32 GLU C . 34970 1 356 . 1 . 1 32 32 GLU CA C 13 56.061 0.074 . 1 . . 786 . A 32 GLU CA . 34970 1 357 . 1 . 1 32 32 GLU CB C 13 29.875 . . 1 . . 778 . A 32 GLU CB . 34970 1 358 . 1 . 1 32 32 GLU CG C 13 36.617 0.089 . 1 . . 987 . A 32 GLU CG . 34970 1 359 . 1 . 1 32 32 GLU N N 15 131.202 0.019 . 1 . . 360 . A 32 GLU N . 34970 1 360 . 1 . 1 33 33 GLY H H 1 8.005 0.004 . 1 . . 5 . A 33 GLY H . 34970 1 361 . 1 . 1 33 33 GLY HA2 H 1 3.911 0.01 . 2 . . 520 . A 33 GLY HA2 . 34970 1 362 . 1 . 1 33 33 GLY HA3 H 1 3.335 0.011 . 2 . . 521 . A 33 GLY HA3 . 34970 1 363 . 1 . 1 33 33 GLY CA C 13 45.040 0.008 . 1 . . 1140 . A 33 GLY CA . 34970 1 364 . 1 . 1 33 33 GLY N N 15 111.562 0.044 . 1 . . 6 . A 33 GLY N . 34970 1 365 . 1 . 1 34 34 LYS H H 1 7.809 0.012 . 1 . . 320 . A 34 LYS H . 34970 1 366 . 1 . 1 34 34 LYS HA H 1 4.177 0.006 . 1 . . 334 . A 34 LYS HA . 34970 1 367 . 1 . 1 34 34 LYS HB2 H 1 1.495 0.011 . 2 . . 779 . A 34 LYS HB2 . 34970 1 368 . 1 . 1 34 34 LYS HB3 H 1 1.495 0.011 . 2 . . 780 . A 34 LYS HB3 . 34970 1 369 . 1 . 1 34 34 LYS HG2 H 1 1.273 0.015 . 2 . . 792 . A 34 LYS HG2 . 34970 1 370 . 1 . 1 34 34 LYS HG3 H 1 1.137 . . 2 . . 793 . A 34 LYS HG3 . 34970 1 371 . 1 . 1 34 34 LYS C C 13 174.822 0.026 . 1 . . 335 . A 34 LYS C . 34970 1 372 . 1 . 1 34 34 LYS CA C 13 54.800 0.015 . 1 . . 336 . A 34 LYS CA . 34970 1 373 . 1 . 1 34 34 LYS CB C 13 31.752 0.031 . 1 . . 337 . A 34 LYS CB . 34970 1 374 . 1 . 1 34 34 LYS N N 15 120.404 0.032 . 1 . . 321 . A 34 LYS N . 34970 1 375 . 1 . 1 35 35 TYR H H 1 8.598 0.009 . 1 . . 152 . A 35 TYR H . 34970 1 376 . 1 . 1 35 35 TYR HA H 1 5.300 0.014 . 1 . . 523 . A 35 TYR HA . 34970 1 377 . 1 . 1 35 35 TYR HB2 H 1 2.930 0.012 . 2 . . 606 . A 35 TYR HB2 . 34970 1 378 . 1 . 1 35 35 TYR HB3 H 1 2.496 0.011 . 2 . . 773 . A 35 TYR HB3 . 34970 1 379 . 1 . 1 35 35 TYR HD1 H 1 6.802 0.013 . 1 . . 698 . A 35 TYR HD1 . 34970 1 380 . 1 . 1 35 35 TYR HD2 H 1 6.802 0.013 . 1 . . 698 . A 35 TYR HD2 . 34970 1 381 . 1 . 1 35 35 TYR HE1 H 1 6.593 0.019 . 1 . . 1017 . A 35 TYR HE1 . 34970 1 382 . 1 . 1 35 35 TYR HE2 H 1 6.593 0.019 . 1 . . 1017 . A 35 TYR HE2 . 34970 1 383 . 1 . 1 35 35 TYR C C 13 174.606 0.042 . 1 . . 475 . A 35 TYR C . 34970 1 384 . 1 . 1 35 35 TYR CA C 13 56.103 0.076 . 1 . . 262 . A 35 TYR CA . 34970 1 385 . 1 . 1 35 35 TYR CB C 13 42.023 0.116 . 1 . . 404 . A 35 TYR CB . 34970 1 386 . 1 . 1 35 35 TYR CD1 C 13 130.756 . . 1 . . 1012 . A 35 TYR CD1 . 34970 1 387 . 1 . 1 35 35 TYR CD2 C 13 130.756 . . 1 . . 1012 . A 35 TYR CD2 . 34970 1 388 . 1 . 1 35 35 TYR CE1 C 13 115.099 . . 1 . . 1013 . A 35 TYR CE1 . 34970 1 389 . 1 . 1 35 35 TYR CE2 C 13 115.099 . . 1 . . 1013 . A 35 TYR CE2 . 34970 1 390 . 1 . 1 35 35 TYR N N 15 125.086 0.037 . 1 . . 153 . A 35 TYR N . 34970 1 391 . 1 . 1 36 36 GLN H H 1 9.163 0.009 . 1 . . 161 . A 36 GLN H . 34970 1 392 . 1 . 1 36 36 GLN HA H 1 4.426 0.007 . 1 . . 524 . A 36 GLN HA . 34970 1 393 . 1 . 1 36 36 GLN HB2 H 1 1.653 0.011 . 1 . . 607 . A 36 GLN HB2 . 34970 1 394 . 1 . 1 36 36 GLN HG2 H 1 1.878 0.015 . 2 . . 608 . A 36 GLN HG2 . 34970 1 395 . 1 . 1 36 36 GLN HG3 H 1 2.358 0.009 . 2 . . 610 . A 36 GLN HG3 . 34970 1 396 . 1 . 1 36 36 GLN HE21 H 1 7.587 0.007 . 1 . . 142 . A 36 GLN HE21 . 34970 1 397 . 1 . 1 36 36 GLN HE22 H 1 7.195 0.007 . 1 . . 160 . A 36 GLN HE22 . 34970 1 398 . 1 . 1 36 36 GLN C C 13 173.176 0.009 . 1 . . 240 . A 36 GLN C . 34970 1 399 . 1 . 1 36 36 GLN CA C 13 54.188 0.04 . 1 . . 242 . A 36 GLN CA . 34970 1 400 . 1 . 1 36 36 GLN CB C 13 33.889 0.029 . 1 . . 241 . A 36 GLN CB . 34970 1 401 . 1 . 1 36 36 GLN CG C 13 35.368 . . 1 . . 986 . A 36 GLN CG . 34970 1 402 . 1 . 1 36 36 GLN N N 15 117.764 0.03 . 1 . . 162 . A 36 GLN N . 34970 1 403 . 1 . 1 36 36 GLN NE2 N 15 113.973 0.036 . 1 . . 143 . A 36 GLN NE2 . 34970 1 404 . 1 . 1 37 37 ARG H H 1 8.657 0.019 . 1 . . 49 . A 37 ARG H . 34970 1 405 . 1 . 1 37 37 ARG HA H 1 4.596 0.011 . 1 . . 525 . A 37 ARG HA . 34970 1 406 . 1 . 1 37 37 ARG HB2 H 1 1.191 0.008 . 2 . . 611 . A 37 ARG HB2 . 34970 1 407 . 1 . 1 37 37 ARG HB3 H 1 1.194 0.005 . 2 . . 777 . A 37 ARG HB3 . 34970 1 408 . 1 . 1 37 37 ARG HG2 H 1 0.739 0.007 . 1 . . 775 . A 37 ARG HG2 . 34970 1 409 . 1 . 1 37 37 ARG HG3 H 1 0.739 0.007 . 1 . . 776 . A 37 ARG HG3 . 34970 1 410 . 1 . 1 37 37 ARG HD2 H 1 3.266 0.008 . 2 . . 1138 . A 37 ARG HD2 . 34970 1 411 . 1 . 1 37 37 ARG HD3 H 1 3.366 . . 2 . . 1139 . A 37 ARG HD3 . 34970 1 412 . 1 . 1 37 37 ARG C C 13 172.243 . . 1 . . 637 . A 37 ARG C . 34970 1 413 . 1 . 1 37 37 ARG CA C 13 54.282 0.019 . 1 . . 406 . A 37 ARG CA . 34970 1 414 . 1 . 1 37 37 ARG CB C 13 33.977 0.019 . 1 . . 405 . A 37 ARG CB . 34970 1 415 . 1 . 1 37 37 ARG N N 15 121.597 0.057 . 1 . . 50 . A 37 ARG N . 34970 1 416 . 1 . 1 38 38 HIS H H 1 9.386 0.01 . 1 . . 113 . A 38 HIS H . 34970 1 417 . 1 . 1 38 38 HIS HA H 1 4.562 0.03 . 1 . . 328 . A 38 HIS HA . 34970 1 418 . 1 . 1 38 38 HIS HB2 H 1 2.758 0.013 . 2 . . 329 . A 38 HIS HB2 . 34970 1 419 . 1 . 1 38 38 HIS HB3 H 1 2.551 0.02 . 2 . . 330 . A 38 HIS HB3 . 34970 1 420 . 1 . 1 38 38 HIS HD2 H 1 6.420 0.002 . 1 . . 1105 . A 38 HIS HD2 . 34970 1 421 . 1 . 1 38 38 HIS HE1 H 1 6.818 0.005 . 1 . . 1104 . A 38 HIS HE1 . 34970 1 422 . 1 . 1 38 38 HIS C C 13 173.756 0.002 . 1 . . 228 . A 38 HIS C . 34970 1 423 . 1 . 1 38 38 HIS CA C 13 54.741 0.013 . 1 . . 227 . A 38 HIS CA . 34970 1 424 . 1 . 1 38 38 HIS CB C 13 32.623 0.026 . 1 . . 229 . A 38 HIS CB . 34970 1 425 . 1 . 1 38 38 HIS N N 15 128.291 0.064 . 1 . . 114 . A 38 HIS N . 34970 1 426 . 1 . 1 39 39 ILE H H 1 8.707 0.008 . 1 . . 154 . A 39 ILE H . 34970 1 427 . 1 . 1 39 39 ILE HA H 1 4.026 0.015 . 1 . . 509 . A 39 ILE HA . 34970 1 428 . 1 . 1 39 39 ILE HB H 1 1.548 0.006 . 1 . . 612 . A 39 ILE HB . 34970 1 429 . 1 . 1 39 39 ILE HG12 H 1 0.887 0.001 . 2 . . 794 . A 39 ILE HG12 . 34970 1 430 . 1 . 1 39 39 ILE HG13 H 1 0.887 0.001 . 2 . . 795 . A 39 ILE HG13 . 34970 1 431 . 1 . 1 39 39 ILE HG21 H 1 0.587 0.009 . 1 . . 774 . A 39 ILE HG21 . 34970 1 432 . 1 . 1 39 39 ILE HG22 H 1 0.587 0.009 . 1 . . 774 . A 39 ILE HG22 . 34970 1 433 . 1 . 1 39 39 ILE HG23 H 1 0.587 0.009 . 1 . . 774 . A 39 ILE HG23 . 34970 1 434 . 1 . 1 39 39 ILE HD11 H 1 0.365 0.004 . 1 . . 796 . A 39 ILE HD11 . 34970 1 435 . 1 . 1 39 39 ILE HD12 H 1 0.365 0.004 . 1 . . 796 . A 39 ILE HD12 . 34970 1 436 . 1 . 1 39 39 ILE HD13 H 1 0.365 0.004 . 1 . . 796 . A 39 ILE HD13 . 34970 1 437 . 1 . 1 39 39 ILE C C 13 173.617 0.048 . 1 . . 327 . A 39 ILE C . 34970 1 438 . 1 . 1 39 39 ILE CA C 13 61.664 0.033 . 1 . . 326 . A 39 ILE CA . 34970 1 439 . 1 . 1 39 39 ILE CB C 13 36.910 0.068 . 1 . . 325 . A 39 ILE CB . 34970 1 440 . 1 . 1 39 39 ILE CG2 C 13 17.213 0.046 . 1 . . 983 . A 39 ILE CG2 . 34970 1 441 . 1 . 1 39 39 ILE CD1 C 13 13.318 . . 1 . . 982 . A 39 ILE CD1 . 34970 1 442 . 1 . 1 39 39 ILE N N 15 124.072 0.029 . 1 . . 155 . A 39 ILE N . 34970 1 443 . 1 . 1 40 40 LEU H H 1 8.319 0.011 . 1 . . 37 . A 40 LEU H . 34970 1 444 . 1 . 1 40 40 LEU HA H 1 4.632 0.02 . 1 . . 508 . A 40 LEU HA . 34970 1 445 . 1 . 1 40 40 LEU HB2 H 1 1.212 . . 2 . . 1131 . A 40 LEU HB2 . 34970 1 446 . 1 . 1 40 40 LEU HB3 H 1 1.045 0.015 . 2 . . 1133 . A 40 LEU HB3 . 34970 1 447 . 1 . 1 40 40 LEU HG H 1 0.795 0.016 . 1 . . 798 . A 40 LEU HG . 34970 1 448 . 1 . 1 40 40 LEU HD11 H 1 0.241 0.021 . 2 . . 613 . A 40 LEU HD11 . 34970 1 449 . 1 . 1 40 40 LEU HD12 H 1 0.241 0.021 . 2 . . 613 . A 40 LEU HD12 . 34970 1 450 . 1 . 1 40 40 LEU HD13 H 1 0.241 0.021 . 2 . . 613 . A 40 LEU HD13 . 34970 1 451 . 1 . 1 40 40 LEU HD21 H 1 0.246 0.02 . 2 . . 1134 . A 40 LEU HD21 . 34970 1 452 . 1 . 1 40 40 LEU HD22 H 1 0.246 0.02 . 2 . . 1134 . A 40 LEU HD22 . 34970 1 453 . 1 . 1 40 40 LEU HD23 H 1 0.246 0.02 . 2 . . 1134 . A 40 LEU HD23 . 34970 1 454 . 1 . 1 40 40 LEU C C 13 174.985 0.02 . 1 . . 282 . A 40 LEU C . 34970 1 455 . 1 . 1 40 40 LEU CA C 13 52.669 0.014 . 1 . . 203 . A 40 LEU CA . 34970 1 456 . 1 . 1 40 40 LEU CB C 13 44.800 0.017 . 1 . . 283 . A 40 LEU CB . 34970 1 457 . 1 . 1 40 40 LEU CG C 13 27.064 . . 1 . . 984 . A 40 LEU CG . 34970 1 458 . 1 . 1 40 40 LEU N N 15 126.932 0.072 . 1 . . 38 . A 40 LEU N . 34970 1 459 . 1 . 1 41 41 ASN H H 1 9.018 0.007 . 1 . . 41 . A 41 ASN H . 34970 1 460 . 1 . 1 41 41 ASN HA H 1 5.268 0.012 . 1 . . 202 . A 41 ASN HA . 34970 1 461 . 1 . 1 41 41 ASN HB2 H 1 2.506 0.01 . 2 . . 201 . A 41 ASN HB2 . 34970 1 462 . 1 . 1 41 41 ASN HB3 H 1 2.504 0.009 . 2 . . 711 . A 41 ASN HB3 . 34970 1 463 . 1 . 1 41 41 ASN HD21 H 1 7.687 0.009 . 1 . . 27 . A 41 ASN HD21 . 34970 1 464 . 1 . 1 41 41 ASN HD22 H 1 7.033 0.01 . 1 . . 51 . A 41 ASN HD22 . 34970 1 465 . 1 . 1 41 41 ASN C C 13 174.661 0.005 . 1 . . 472 . A 41 ASN C . 34970 1 466 . 1 . 1 41 41 ASN CA C 13 52.830 0.045 . 1 . . 408 . A 41 ASN CA . 34970 1 467 . 1 . 1 41 41 ASN CB C 13 42.379 0.046 . 1 . . 407 . A 41 ASN CB . 34970 1 468 . 1 . 1 41 41 ASN N N 15 115.532 0.035 . 1 . . 42 . A 41 ASN N . 34970 1 469 . 1 . 1 41 41 ASN ND2 N 15 114.578 0.053 . 1 . . 28 . A 41 ASN ND2 . 34970 1 470 . 1 . 1 42 42 SER H H 1 8.443 0.014 . 1 . . 103 . A 42 SER H . 34970 1 471 . 1 . 1 42 42 SER HA H 1 5.069 0.011 . 1 . . 527 . A 42 SER HA . 34970 1 472 . 1 . 1 42 42 SER HB2 H 1 3.985 0.006 . 2 . . 614 . A 42 SER HB2 . 34970 1 473 . 1 . 1 42 42 SER HB3 H 1 4.240 0.013 . 2 . . 615 . A 42 SER HB3 . 34970 1 474 . 1 . 1 42 42 SER C C 13 175.331 0.004 . 1 . . 200 . A 42 SER C . 34970 1 475 . 1 . 1 42 42 SER CA C 13 56.007 0.023 . 1 . . 199 . A 42 SER CA . 34970 1 476 . 1 . 1 42 42 SER CB C 13 65.894 0.018 . 1 . . 198 . A 42 SER CB . 34970 1 477 . 1 . 1 42 42 SER N N 15 116.811 0.027 . 1 . . 104 . A 42 SER N . 34970 1 478 . 1 . 1 43 43 GLU H H 1 9.206 0.01 . 1 . . 54 . A 43 GLU H . 34970 1 479 . 1 . 1 43 43 GLU HA H 1 4.009 0.007 . 1 . . 196 . A 43 GLU HA . 34970 1 480 . 1 . 1 43 43 GLU HB2 H 1 1.982 0.006 . 2 . . 197 . A 43 GLU HB2 . 34970 1 481 . 1 . 1 43 43 GLU HB3 H 1 1.982 0.006 . 2 . . 879 . A 43 GLU HB3 . 34970 1 482 . 1 . 1 43 43 GLU HG2 H 1 2.203 0.013 . 1 . . 880 . A 43 GLU HG2 . 34970 1 483 . 1 . 1 43 43 GLU HG3 H 1 2.203 0.013 . 1 . . 881 . A 43 GLU HG3 . 34970 1 484 . 1 . 1 43 43 GLU C C 13 177.382 0.008 . 1 . . 194 . A 43 GLU C . 34970 1 485 . 1 . 1 43 43 GLU CA C 13 59.226 0.024 . 1 . . 193 . A 43 GLU CA . 34970 1 486 . 1 . 1 43 43 GLU CB C 13 29.651 0.059 . 1 . . 195 . A 43 GLU CB . 34970 1 487 . 1 . 1 43 43 GLU CG C 13 36.892 . . 1 . . 980 . A 43 GLU CG . 34970 1 488 . 1 . 1 43 43 GLU N N 15 127.359 0.105 . 1 . . 55 . A 43 GLU N . 34970 1 489 . 1 . 1 44 44 LYS H H 1 8.042 0.008 . 1 . . 74 . A 44 LYS H . 34970 1 490 . 1 . 1 44 44 LYS HA H 1 3.946 0.008 . 1 . . 192 . A 44 LYS HA . 34970 1 491 . 1 . 1 44 44 LYS C C 13 177.496 0.032 . 1 . . 479 . A 44 LYS C . 34970 1 492 . 1 . 1 44 44 LYS CA C 13 57.946 0.036 . 1 . . 409 . A 44 LYS CA . 34970 1 493 . 1 . 1 44 44 LYS CB C 13 33.394 0.051 . 1 . . 410 . A 44 LYS CB . 34970 1 494 . 1 . 1 44 44 LYS CG C 13 24.810 . . 1 . . 985 . A 44 LYS CG . 34970 1 495 . 1 . 1 44 44 LYS N N 15 116.924 0.042 . 1 . . 75 . A 44 LYS N . 34970 1 496 . 1 . 1 45 45 HIS H H 1 7.199 0.008 . 1 . . 29 . A 45 HIS H . 34970 1 497 . 1 . 1 45 45 HIS HA H 1 4.594 0.008 . 1 . . 528 . A 45 HIS HA . 34970 1 498 . 1 . 1 45 45 HIS HB2 H 1 2.861 0.016 . 2 . . 619 . A 45 HIS HB2 . 34970 1 499 . 1 . 1 45 45 HIS HB3 H 1 2.351 0.007 . 2 . . 620 . A 45 HIS HB3 . 34970 1 500 . 1 . 1 45 45 HIS HD2 H 1 6.512 0.008 . 1 . . 1106 . A 45 HIS HD2 . 34970 1 501 . 1 . 1 45 45 HIS HE1 H 1 6.707 . . 1 . . 1137 . A 45 HIS HE1 . 34970 1 502 . 1 . 1 45 45 HIS C C 13 176.267 0.008 . 1 . . 237 . A 45 HIS C . 34970 1 503 . 1 . 1 45 45 HIS CA C 13 55.917 0.004 . 1 . . 238 . A 45 HIS CA . 34970 1 504 . 1 . 1 45 45 HIS CB C 13 32.747 0.047 . 1 . . 239 . A 45 HIS CB . 34970 1 505 . 1 . 1 45 45 HIS N N 15 113.229 0.047 . 1 . . 30 . A 45 HIS N . 34970 1 506 . 1 . 1 46 46 GLY H H 1 8.123 0.006 . 1 . . 31 . A 46 GLY H . 34970 1 507 . 1 . 1 46 46 GLY HA2 H 1 4.162 0.01 . 2 . . 247 . A 46 GLY HA2 . 34970 1 508 . 1 . 1 46 46 GLY HA3 H 1 3.868 0.008 . 2 . . 248 . A 46 GLY HA3 . 34970 1 509 . 1 . 1 46 46 GLY C C 13 173.890 0.014 . 1 . . 245 . A 46 GLY C . 34970 1 510 . 1 . 1 46 46 GLY CA C 13 45.054 0.025 . 1 . . 246 . A 46 GLY CA . 34970 1 511 . 1 . 1 46 46 GLY N N 15 110.224 0.027 . 1 . . 32 . A 46 GLY N . 34970 1 512 . 1 . 1 47 47 ALA H H 1 8.213 0.003 . 1 . . 58 . A 47 ALA H . 34970 1 513 . 1 . 1 47 47 ALA HA H 1 5.204 0.0 . 1 . . 529 . A 47 ALA HA . 34970 1 514 . 1 . 1 47 47 ALA HB1 H 1 1.284 0.007 . 1 . . 259 . A 47 ALA HB1 . 34970 1 515 . 1 . 1 47 47 ALA HB2 H 1 1.284 0.007 . 1 . . 259 . A 47 ALA HB2 . 34970 1 516 . 1 . 1 47 47 ALA HB3 H 1 1.284 0.007 . 1 . . 259 . A 47 ALA HB3 . 34970 1 517 . 1 . 1 47 47 ALA C C 13 178.207 0.008 . 1 . . 256 . A 47 ALA C . 34970 1 518 . 1 . 1 47 47 ALA CA C 13 52.024 0.033 . 1 . . 258 . A 47 ALA CA . 34970 1 519 . 1 . 1 47 47 ALA CB C 13 18.940 0.064 . 1 . . 257 . A 47 ALA CB . 34970 1 520 . 1 . 1 47 47 ALA N N 15 125.945 0.041 . 1 . . 59 . A 47 ALA N . 34970 1 521 . 1 . 1 48 48 PHE H H 1 9.142 0.007 . 1 . . 85 . A 48 PHE H . 34970 1 522 . 1 . 1 48 48 PHE HA H 1 4.914 0.005 . 1 . . 530 . A 48 PHE HA . 34970 1 523 . 1 . 1 48 48 PHE HB2 H 1 2.946 0.003 . 2 . . 624 . A 48 PHE HB2 . 34970 1 524 . 1 . 1 48 48 PHE HB3 H 1 3.214 0.01 . 2 . . 801 . A 48 PHE HB3 . 34970 1 525 . 1 . 1 48 48 PHE HD1 H 1 7.063 0.013 . 1 . . 623 . A 48 PHE HD1 . 34970 1 526 . 1 . 1 48 48 PHE HD2 H 1 7.063 0.013 . 1 . . 623 . A 48 PHE HD2 . 34970 1 527 . 1 . 1 48 48 PHE HE1 H 1 7.068 0.008 . 1 . . 1026 . A 48 PHE HE1 . 34970 1 528 . 1 . 1 48 48 PHE HE2 H 1 7.068 0.008 . 1 . . 1026 . A 48 PHE HE2 . 34970 1 529 . 1 . 1 48 48 PHE HZ H 1 6.709 0.009 . 1 . . 1028 . A 48 PHE HZ . 34970 1 530 . 1 . 1 48 48 PHE C C 13 171.846 0.0 . 1 . . 480 . A 48 PHE C . 34970 1 531 . 1 . 1 48 48 PHE CA C 13 56.029 0.009 . 1 . . 412 . A 48 PHE CA . 34970 1 532 . 1 . 1 48 48 PHE CB C 13 41.031 0.043 . 1 . . 411 . A 48 PHE CB . 34970 1 533 . 1 . 1 48 48 PHE CD1 C 13 129.760 . . 1 . . 1025 . A 48 PHE CD1 . 34970 1 534 . 1 . 1 48 48 PHE CD2 C 13 129.760 . . 1 . . 1025 . A 48 PHE CD2 . 34970 1 535 . 1 . 1 48 48 PHE CE1 C 13 130.417 . . 1 . . 1027 . A 48 PHE CE1 . 34970 1 536 . 1 . 1 48 48 PHE CE2 C 13 130.417 . . 1 . . 1027 . A 48 PHE CE2 . 34970 1 537 . 1 . 1 48 48 PHE CZ C 13 127.932 . . 1 . . 1029 . A 48 PHE CZ . 34970 1 538 . 1 . 1 48 48 PHE N N 15 120.846 0.05 . 1 . . 86 . A 48 PHE N . 34970 1 539 . 1 . 1 49 49 HIS H H 1 8.288 0.005 . 1 . . 158 . A 49 HIS H . 34970 1 540 . 1 . 1 49 49 HIS HA H 1 5.539 0.007 . 1 . . 531 . A 49 HIS HA . 34970 1 541 . 1 . 1 49 49 HIS HB2 H 1 3.368 0.01 . 2 . . 625 . A 49 HIS HB2 . 34970 1 542 . 1 . 1 49 49 HIS HB3 H 1 2.580 0.007 . 2 . . 626 . A 49 HIS HB3 . 34970 1 543 . 1 . 1 49 49 HIS HD2 H 1 6.516 0.007 . 1 . . 1103 . A 49 HIS HD2 . 34970 1 544 . 1 . 1 49 49 HIS HE1 H 1 7.073 . . 1 . . 1102 . A 49 HIS HE1 . 34970 1 545 . 1 . 1 49 49 HIS C C 13 174.796 . . 1 . . 293 . A 49 HIS C . 34970 1 546 . 1 . 1 49 49 HIS CA C 13 53.586 0.034 . 1 . . 414 . A 49 HIS CA . 34970 1 547 . 1 . 1 49 49 HIS CB C 13 34.503 0.032 . 1 . . 413 . A 49 HIS CB . 34970 1 548 . 1 . 1 49 49 HIS N N 15 119.401 0.047 . 1 . . 159 . A 49 HIS N . 34970 1 549 . 1 . 1 50 50 VAL H H 1 9.053 0.014 . 1 . . 23 . A 50 VAL H . 34970 1 550 . 1 . 1 50 50 VAL HA H 1 4.822 0.013 . 1 . . 532 . A 50 VAL HA . 34970 1 551 . 1 . 1 50 50 VAL HB H 1 1.620 0.011 . 1 . . 622 . A 50 VAL HB . 34970 1 552 . 1 . 1 50 50 VAL HG11 H 1 0.622 0.015 . 2 . . 621 . A 50 VAL HG11 . 34970 1 553 . 1 . 1 50 50 VAL HG12 H 1 0.622 0.015 . 2 . . 621 . A 50 VAL HG12 . 34970 1 554 . 1 . 1 50 50 VAL HG13 H 1 0.622 0.015 . 2 . . 621 . A 50 VAL HG13 . 34970 1 555 . 1 . 1 50 50 VAL HG21 H 1 0.591 0.009 . 2 . . 804 . A 50 VAL HG21 . 34970 1 556 . 1 . 1 50 50 VAL HG22 H 1 0.591 0.009 . 2 . . 804 . A 50 VAL HG22 . 34970 1 557 . 1 . 1 50 50 VAL HG23 H 1 0.591 0.009 . 2 . . 804 . A 50 VAL HG23 . 34970 1 558 . 1 . 1 50 50 VAL C C 13 174.661 0.05 . 1 . . 285 . A 50 VAL C . 34970 1 559 . 1 . 1 50 50 VAL CA C 13 59.849 0.02 . 1 . . 415 . A 50 VAL CA . 34970 1 560 . 1 . 1 50 50 VAL CB C 13 34.657 . . 1 . . 843 . A 50 VAL CB . 34970 1 561 . 1 . 1 50 50 VAL CG1 C 13 23.059 . . 1 . . 978 . A 50 VAL CG1 . 34970 1 562 . 1 . 1 50 50 VAL CG2 C 13 23.059 . . 1 . . 979 . A 50 VAL CG2 . 34970 1 563 . 1 . 1 50 50 VAL N N 15 120.648 0.038 . 1 . . 24 . A 50 VAL N . 34970 1 564 . 1 . 1 51 51 ILE H H 1 9.610 0.01 . 1 . . 1 . A 51 ILE H . 34970 1 565 . 1 . 1 51 51 ILE HA H 1 5.419 0.008 . 1 . . 533 . A 51 ILE HA . 34970 1 566 . 1 . 1 51 51 ILE HB H 1 1.819 0.004 . 1 . . 434 . A 51 ILE HB . 34970 1 567 . 1 . 1 51 51 ILE HG12 H 1 1.186 0.017 . 2 . . 806 . A 51 ILE HG12 . 34970 1 568 . 1 . 1 51 51 ILE HG13 H 1 1.301 0.014 . 2 . . 807 . A 51 ILE HG13 . 34970 1 569 . 1 . 1 51 51 ILE HG21 H 1 0.748 0.008 . 1 . . 433 . A 51 ILE HG21 . 34970 1 570 . 1 . 1 51 51 ILE HG22 H 1 0.748 0.008 . 1 . . 433 . A 51 ILE HG22 . 34970 1 571 . 1 . 1 51 51 ILE HG23 H 1 0.748 0.008 . 1 . . 433 . A 51 ILE HG23 . 34970 1 572 . 1 . 1 51 51 ILE HD11 H 1 0.567 0.008 . 1 . . 808 . A 51 ILE HD11 . 34970 1 573 . 1 . 1 51 51 ILE HD12 H 1 0.567 0.008 . 1 . . 808 . A 51 ILE HD12 . 34970 1 574 . 1 . 1 51 51 ILE HD13 H 1 0.567 0.008 . 1 . . 808 . A 51 ILE HD13 . 34970 1 575 . 1 . 1 51 51 ILE C C 13 174.696 0.014 . 1 . . 481 . A 51 ILE C . 34970 1 576 . 1 . 1 51 51 ILE CA C 13 58.294 0.069 . 1 . . 416 . A 51 ILE CA . 34970 1 577 . 1 . 1 51 51 ILE CB C 13 38.511 0.076 . 1 . . 417 . A 51 ILE CB . 34970 1 578 . 1 . 1 51 51 ILE CG2 C 13 19.169 . . 1 . . 975 . A 51 ILE CG2 . 34970 1 579 . 1 . 1 51 51 ILE N N 15 130.344 0.064 . 1 . . 2 . A 51 ILE N . 34970 1 580 . 1 . 1 52 52 THR H H 1 8.774 0.007 . 1 . . 43 . A 52 THR H . 34970 1 581 . 1 . 1 52 52 THR HA H 1 5.463 0.009 . 1 . . 1008 . A 52 THR HA . 34970 1 582 . 1 . 1 52 52 THR HB H 1 4.272 0.011 . 1 . . 1007 . A 52 THR HB . 34970 1 583 . 1 . 1 52 52 THR HG21 H 1 0.772 0.014 . 1 . . 627 . A 52 THR HG21 . 34970 1 584 . 1 . 1 52 52 THR HG22 H 1 0.772 0.014 . 1 . . 627 . A 52 THR HG22 . 34970 1 585 . 1 . 1 52 52 THR HG23 H 1 0.772 0.014 . 1 . . 627 . A 52 THR HG23 . 34970 1 586 . 1 . 1 52 52 THR C C 13 173.992 . . 1 . . 482 . A 52 THR C . 34970 1 587 . 1 . 1 52 52 THR CA C 13 57.832 0.02 . 1 . . 418 . A 52 THR CA . 34970 1 588 . 1 . 1 52 52 THR CB C 13 70.567 0.001 . 1 . . 419 . A 52 THR CB . 34970 1 589 . 1 . 1 52 52 THR N N 15 113.981 0.034 . 1 . . 44 . A 52 THR N . 34970 1 590 . 1 . 1 53 53 PRO HA H 1 4.730 0.009 . 1 . . 535 . A 53 PRO HA . 34970 1 591 . 1 . 1 53 53 PRO HB2 H 1 2.551 0.005 . 1 . . 894 . A 53 PRO HB2 . 34970 1 592 . 1 . 1 53 53 PRO HB3 H 1 2.551 0.005 . 1 . . 895 . A 53 PRO HB3 . 34970 1 593 . 1 . 1 53 53 PRO HG2 H 1 2.140 0.008 . 2 . . 896 . A 53 PRO HG2 . 34970 1 594 . 1 . 1 53 53 PRO HG3 H 1 2.147 . . 2 . . 897 . A 53 PRO HG3 . 34970 1 595 . 1 . 1 53 53 PRO HD2 H 1 3.707 0.013 . 2 . . 893 . A 53 PRO HD2 . 34970 1 596 . 1 . 1 53 53 PRO HD3 H 1 3.698 . . 2 . . 1135 . A 53 PRO HD3 . 34970 1 597 . 1 . 1 53 53 PRO C C 13 178.204 . . 1 . . 319 . A 53 PRO C . 34970 1 598 . 1 . 1 53 53 PRO CA C 13 63.878 0.014 . 1 . . 421 . A 53 PRO CA . 34970 1 599 . 1 . 1 53 53 PRO CB C 13 31.944 0.09 . 1 . . 420 . A 53 PRO CB . 34970 1 600 . 1 . 1 53 53 PRO CG C 13 28.731 . . 1 . . 974 . A 53 PRO CG . 34970 1 601 . 1 . 1 54 54 ALA H H 1 8.367 0.009 . 1 . . 131 . A 54 ALA H . 34970 1 602 . 1 . 1 54 54 ALA HA H 1 4.017 0.007 . 1 . . 191 . A 54 ALA HA . 34970 1 603 . 1 . 1 54 54 ALA HB1 H 1 1.029 0.009 . 1 . . 190 . A 54 ALA HB1 . 34970 1 604 . 1 . 1 54 54 ALA HB2 H 1 1.029 0.009 . 1 . . 190 . A 54 ALA HB2 . 34970 1 605 . 1 . 1 54 54 ALA HB3 H 1 1.029 0.009 . 1 . . 190 . A 54 ALA HB3 . 34970 1 606 . 1 . 1 54 54 ALA C C 13 176.567 0.009 . 1 . . 189 . A 54 ALA C . 34970 1 607 . 1 . 1 54 54 ALA CA C 13 53.087 0.009 . 1 . . 187 . A 54 ALA CA . 34970 1 608 . 1 . 1 54 54 ALA CB C 13 18.573 0.031 . 1 . . 188 . A 54 ALA CB . 34970 1 609 . 1 . 1 54 54 ALA N N 15 128.811 0.05 . 1 . . 132 . A 54 ALA N . 34970 1 610 . 1 . 1 55 55 SER H H 1 7.833 0.014 . 1 . . 21 . A 55 SER H . 34970 1 611 . 1 . 1 55 55 SER HA H 1 4.821 0.01 . 1 . . 536 . A 55 SER HA . 34970 1 612 . 1 . 1 55 55 SER HB2 H 1 4.096 0.008 . 2 . . 802 . A 55 SER HB2 . 34970 1 613 . 1 . 1 55 55 SER HB3 H 1 3.902 0.009 . 2 . . 803 . A 55 SER HB3 . 34970 1 614 . 1 . 1 55 55 SER C C 13 174.349 . . 1 . . 483 . A 55 SER C . 34970 1 615 . 1 . 1 55 55 SER CA C 13 56.251 0.041 . 1 . . 422 . A 55 SER CA . 34970 1 616 . 1 . 1 55 55 SER CB C 13 65.836 0.013 . 1 . . 423 . A 55 SER CB . 34970 1 617 . 1 . 1 55 55 SER N N 15 115.817 0.042 . 1 . . 22 . A 55 SER N . 34970 1 618 . 1 . 1 56 56 THR HA H 1 4.357 . . 1 . . 630 . A 56 THR HA . 34970 1 619 . 1 . 1 56 56 THR HB H 1 4.177 . . 1 . . 629 . A 56 THR HB . 34970 1 620 . 1 . 1 56 56 THR HG21 H 1 1.128 0.011 . 1 . . 976 . A 56 THR HG21 . 34970 1 621 . 1 . 1 56 56 THR HG22 H 1 1.128 0.011 . 1 . . 976 . A 56 THR HG22 . 34970 1 622 . 1 . 1 56 56 THR HG23 H 1 1.128 0.011 . 1 . . 976 . A 56 THR HG23 . 34970 1 623 . 1 . 1 56 56 THR C C 13 175.101 . . 1 . . 845 . A 56 THR C . 34970 1 624 . 1 . 1 56 56 THR CA C 13 62.253 0.034 . 1 . . 841 . A 56 THR CA . 34970 1 625 . 1 . 1 56 56 THR CB C 13 68.783 . . 1 . . 842 . A 56 THR CB . 34970 1 626 . 1 . 1 56 56 THR CG2 C 13 22.025 . . 1 . . 973 . A 56 THR CG2 . 34970 1 627 . 1 . 1 57 57 THR H H 1 8.019 0.005 . 1 . . 35 . A 57 THR H . 34970 1 628 . 1 . 1 57 57 THR HA H 1 3.698 0.014 . 1 . . 538 . A 57 THR HA . 34970 1 629 . 1 . 1 57 57 THR HB H 1 3.500 0.01 . 1 . . 631 . A 57 THR HB . 34970 1 630 . 1 . 1 57 57 THR C C 13 172.816 0.001 . 1 . . 484 . A 57 THR C . 34970 1 631 . 1 . 1 57 57 THR CA C 13 63.875 0.031 . 1 . . 426 . A 57 THR CA . 34970 1 632 . 1 . 1 57 57 THR CB C 13 69.086 0.022 . 1 . . 424 . A 57 THR CB . 34970 1 633 . 1 . 1 57 57 THR CG2 C 13 22.324 . . 1 . . 972 . A 57 THR CG2 . 34970 1 634 . 1 . 1 57 57 THR N N 15 120.541 0.05 . 1 . . 36 . A 57 THR N . 34970 1 635 . 1 . 1 58 58 VAL H H 1 8.081 0.005 . 1 . . 33 . A 58 VAL H . 34970 1 636 . 1 . 1 58 58 VAL HA H 1 3.849 0.018 . 1 . . 539 . A 58 VAL HA . 34970 1 637 . 1 . 1 58 58 VAL HB H 1 1.690 0.01 . 1 . . 182 . A 58 VAL HB . 34970 1 638 . 1 . 1 58 58 VAL HG11 H 1 0.724 0.015 . 2 . . 633 . A 58 VAL HG11 . 34970 1 639 . 1 . 1 58 58 VAL HG12 H 1 0.724 0.015 . 2 . . 633 . A 58 VAL HG12 . 34970 1 640 . 1 . 1 58 58 VAL HG13 H 1 0.724 0.015 . 2 . . 633 . A 58 VAL HG13 . 34970 1 641 . 1 . 1 58 58 VAL HG21 H 1 0.673 . . 2 . . 969 . A 58 VAL HG21 . 34970 1 642 . 1 . 1 58 58 VAL HG22 H 1 0.673 . . 2 . . 969 . A 58 VAL HG22 . 34970 1 643 . 1 . 1 58 58 VAL HG23 H 1 0.673 . . 2 . . 969 . A 58 VAL HG23 . 34970 1 644 . 1 . 1 58 58 VAL C C 13 174.828 0.003 . 1 . . 179 . A 58 VAL C . 34970 1 645 . 1 . 1 58 58 VAL CA C 13 60.963 0.018 . 1 . . 181 . A 58 VAL CA . 34970 1 646 . 1 . 1 58 58 VAL CB C 13 33.045 0.038 . 1 . . 180 . A 58 VAL CB . 34970 1 647 . 1 . 1 58 58 VAL CG1 C 13 20.904 . . 1 . . 970 . A 58 VAL CG1 . 34970 1 648 . 1 . 1 58 58 VAL CG2 C 13 20.904 . . 1 . . 971 . A 58 VAL CG2 . 34970 1 649 . 1 . 1 58 58 VAL N N 15 127.226 0.039 . 1 . . 34 . A 58 VAL N . 34970 1 650 . 1 . 1 59 59 PHE H H 1 7.890 0.006 . 1 . . 19 . A 59 PHE H . 34970 1 651 . 1 . 1 59 59 PHE HA H 1 4.278 0.001 . 1 . . 540 . A 59 PHE HA . 34970 1 652 . 1 . 1 59 59 PHE HD1 H 1 6.538 0.006 . 1 . . 634 . A 59 PHE HD1 . 34970 1 653 . 1 . 1 59 59 PHE HD2 H 1 6.538 0.006 . 1 . . 634 . A 59 PHE HD2 . 34970 1 654 . 1 . 1 59 59 PHE HE1 H 1 6.841 0.017 . 1 . . 1019 . A 59 PHE HE1 . 34970 1 655 . 1 . 1 59 59 PHE HE2 H 1 6.841 0.017 . 1 . . 1019 . A 59 PHE HE2 . 34970 1 656 . 1 . 1 59 59 PHE C C 13 171.984 . . 1 . . 868 . A 59 PHE C . 34970 1 657 . 1 . 1 59 59 PHE CA C 13 54.996 0.04 . 1 . . 427 . A 59 PHE CA . 34970 1 658 . 1 . 1 59 59 PHE CB C 13 37.634 0.035 . 1 . . 428 . A 59 PHE CB . 34970 1 659 . 1 . 1 59 59 PHE CD1 C 13 129.316 . . 1 . . 1018 . A 59 PHE CD1 . 34970 1 660 . 1 . 1 59 59 PHE CD2 C 13 129.316 . . 1 . . 1018 . A 59 PHE CD2 . 34970 1 661 . 1 . 1 59 59 PHE CE1 C 13 128.821 . . 1 . . 1020 . A 59 PHE CE1 . 34970 1 662 . 1 . 1 59 59 PHE CE2 C 13 128.821 . . 1 . . 1020 . A 59 PHE CE2 . 34970 1 663 . 1 . 1 59 59 PHE N N 15 127.217 0.072 . 1 . . 20 . A 59 PHE N . 34970 1 664 . 1 . 1 60 60 PRO HA H 1 4.303 . . 1 . . 541 . A 60 PRO HA . 34970 1 665 . 1 . 1 60 60 PRO HB2 H 1 1.781 . . 2 . . 638 . A 60 PRO HB2 . 34970 1 666 . 1 . 1 60 60 PRO HB3 H 1 2.193 0.018 . 2 . . 639 . A 60 PRO HB3 . 34970 1 667 . 1 . 1 60 60 PRO HD2 H 1 3.272 0.012 . 1 . . 640 . A 60 PRO HD2 . 34970 1 668 . 1 . 1 60 60 PRO C C 13 175.664 0.004 . 1 . . 284 . A 60 PRO C . 34970 1 669 . 1 . 1 60 60 PRO CB C 13 31.860 0.014 . 1 . . 873 . A 60 PRO CB . 34970 1 670 . 1 . 1 60 60 PRO CG C 13 27.322 . . 1 . . 967 . A 60 PRO CG . 34970 1 671 . 1 . 1 60 60 PRO CD C 13 51.210 . . 1 . . 968 . A 60 PRO CD . 34970 1 672 . 1 . 1 61 61 GLU H H 1 8.315 0.006 . 1 . . 16 . A 61 GLU H . 34970 1 673 . 1 . 1 61 61 GLU HA H 1 3.854 0.006 . 1 . . 236 . A 61 GLU HA . 34970 1 674 . 1 . 1 61 61 GLU HB2 H 1 1.930 0.006 . 2 . . 643 . A 61 GLU HB2 . 34970 1 675 . 1 . 1 61 61 GLU HB3 H 1 2.042 0.015 . 2 . . 644 . A 61 GLU HB3 . 34970 1 676 . 1 . 1 61 61 GLU HG2 H 1 2.474 0.012 . 2 . . 810 . A 61 GLU HG2 . 34970 1 677 . 1 . 1 61 61 GLU HG3 H 1 2.351 . . 2 . . 965 . A 61 GLU HG3 . 34970 1 678 . 1 . 1 61 61 GLU C C 13 177.435 0.006 . 1 . . 233 . A 61 GLU C . 34970 1 679 . 1 . 1 61 61 GLU CA C 13 58.689 0.034 . 1 . . 234 . A 61 GLU CA . 34970 1 680 . 1 . 1 61 61 GLU CB C 13 29.531 0.06 . 1 . . 235 . A 61 GLU CB . 34970 1 681 . 1 . 1 61 61 GLU CG C 13 36.726 . . 1 . . 966 . A 61 GLU CG . 34970 1 682 . 1 . 1 61 61 GLU N N 15 121.023 0.058 . 1 . . 17 . A 61 GLU N . 34970 1 683 . 1 . 1 62 62 ASP H H 1 9.406 0.005 . 1 . . 3 . A 62 ASP H . 34970 1 684 . 1 . 1 62 62 ASP HA H 1 4.319 0.009 . 1 . . 272 . A 62 ASP HA . 34970 1 685 . 1 . 1 62 62 ASP HB2 H 1 3.009 0.013 . 2 . . 642 . A 62 ASP HB2 . 34970 1 686 . 1 . 1 62 62 ASP HB3 H 1 2.926 0.015 . 2 . . 809 . A 62 ASP HB3 . 34970 1 687 . 1 . 1 62 62 ASP C C 13 174.608 0.016 . 1 . . 270 . A 62 ASP C . 34970 1 688 . 1 . 1 62 62 ASP CA C 13 56.903 0.013 . 1 . . 271 . A 62 ASP CA . 34970 1 689 . 1 . 1 62 62 ASP CB C 13 39.429 0.069 . 1 . . 269 . A 62 ASP CB . 34970 1 690 . 1 . 1 62 62 ASP N N 15 119.395 0.021 . 1 . . 4 . A 62 ASP N . 34970 1 691 . 1 . 1 63 63 ALA H H 1 7.733 0.007 . 1 . . 70 . A 63 ALA H . 34970 1 692 . 1 . 1 63 63 ALA HA H 1 4.282 0.006 . 1 . . 276 . A 63 ALA HA . 34970 1 693 . 1 . 1 63 63 ALA HB1 H 1 1.275 0.01 . 1 . . 645 . A 63 ALA HB1 . 34970 1 694 . 1 . 1 63 63 ALA HB2 H 1 1.275 0.01 . 1 . . 645 . A 63 ALA HB2 . 34970 1 695 . 1 . 1 63 63 ALA HB3 H 1 1.275 0.01 . 1 . . 645 . A 63 ALA HB3 . 34970 1 696 . 1 . 1 63 63 ALA C C 13 176.902 0.005 . 1 . . 268 . A 63 ALA C . 34970 1 697 . 1 . 1 63 63 ALA CA C 13 52.543 0.07 . 1 . . 266 . A 63 ALA CA . 34970 1 698 . 1 . 1 63 63 ALA CB C 13 19.850 0.046 . 1 . . 267 . A 63 ALA CB . 34970 1 699 . 1 . 1 63 63 ALA N N 15 121.201 0.067 . 1 . . 71 . A 63 ALA N . 34970 1 700 . 1 . 1 64 64 LEU H H 1 8.315 0.008 . 1 . . 98 . A 64 LEU H . 34970 1 701 . 1 . 1 64 64 LEU HA H 1 4.474 0.002 . 1 . . 542 . A 64 LEU HA . 34970 1 702 . 1 . 1 64 64 LEU HB2 H 1 1.633 0.009 . 2 . . 647 . A 64 LEU HB2 . 34970 1 703 . 1 . 1 64 64 LEU HB3 H 1 1.384 0.016 . 2 . . 648 . A 64 LEU HB3 . 34970 1 704 . 1 . 1 64 64 LEU HG H 1 1.200 . . 1 . . 646 . A 64 LEU HG . 34970 1 705 . 1 . 1 64 64 LEU HD11 H 1 0.570 0.154 . 2 . . 886 . A 64 LEU HD11 . 34970 1 706 . 1 . 1 64 64 LEU HD12 H 1 0.570 0.154 . 2 . . 886 . A 64 LEU HD12 . 34970 1 707 . 1 . 1 64 64 LEU HD13 H 1 0.570 0.154 . 2 . . 886 . A 64 LEU HD13 . 34970 1 708 . 1 . 1 64 64 LEU HD21 H 1 0.469 0.015 . 2 . . 887 . A 64 LEU HD21 . 34970 1 709 . 1 . 1 64 64 LEU HD22 H 1 0.469 0.015 . 2 . . 887 . A 64 LEU HD22 . 34970 1 710 . 1 . 1 64 64 LEU HD23 H 1 0.469 0.015 . 2 . . 887 . A 64 LEU HD23 . 34970 1 711 . 1 . 1 64 64 LEU C C 13 176.929 0.019 . 1 . . 468 . A 64 LEU C . 34970 1 712 . 1 . 1 64 64 LEU CA C 13 54.856 0.046 . 1 . . 277 . A 64 LEU CA . 34970 1 713 . 1 . 1 64 64 LEU CB C 13 42.637 0.045 . 1 . . 278 . A 64 LEU CB . 34970 1 714 . 1 . 1 64 64 LEU CG C 13 25.405 . . 1 . . 961 . A 64 LEU CG . 34970 1 715 . 1 . 1 64 64 LEU N N 15 123.785 0.058 . 1 . . 99 . A 64 LEU N . 34970 1 716 . 1 . 1 65 65 VAL H H 1 8.835 0.013 . 1 . . 344 . A 65 VAL H . 34970 1 717 . 1 . 1 65 65 VAL HA H 1 5.131 0.004 . 1 . . 544 . A 65 VAL HA . 34970 1 718 . 1 . 1 65 65 VAL HB H 1 1.216 0.015 . 1 . . 667 . A 65 VAL HB . 34970 1 719 . 1 . 1 65 65 VAL HG11 H 1 0.375 0.002 . 2 . . 666 . A 65 VAL HG11 . 34970 1 720 . 1 . 1 65 65 VAL HG12 H 1 0.375 0.002 . 2 . . 666 . A 65 VAL HG12 . 34970 1 721 . 1 . 1 65 65 VAL HG13 H 1 0.375 0.002 . 2 . . 666 . A 65 VAL HG13 . 34970 1 722 . 1 . 1 65 65 VAL HG21 H 1 0.378 . . 2 . . 964 . A 65 VAL HG21 . 34970 1 723 . 1 . 1 65 65 VAL HG22 H 1 0.378 . . 2 . . 964 . A 65 VAL HG22 . 34970 1 724 . 1 . 1 65 65 VAL HG23 H 1 0.378 . . 2 . . 964 . A 65 VAL HG23 . 34970 1 725 . 1 . 1 65 65 VAL C C 13 174.229 0.001 . 1 . . 469 . A 65 VAL C . 34970 1 726 . 1 . 1 65 65 VAL CA C 13 58.486 0.058 . 1 . . 429 . A 65 VAL CA . 34970 1 727 . 1 . 1 65 65 VAL CB C 13 35.815 0.029 . 1 . . 430 . A 65 VAL CB . 34970 1 728 . 1 . 1 65 65 VAL CG1 C 13 22.164 . . 2 . . 959 . A 65 VAL CG1 . 34970 1 729 . 1 . 1 65 65 VAL CG2 C 13 19.387 . . 2 . . 960 . A 65 VAL CG2 . 34970 1 730 . 1 . 1 65 65 VAL N N 15 118.901 0.056 . 1 . . 345 . A 65 VAL N . 34970 1 731 . 1 . 1 66 66 GLU H H 1 8.845 0.006 . 1 . . 137 . A 66 GLU H . 34970 1 732 . 1 . 1 66 66 GLU HA H 1 4.510 0.011 . 1 . . 543 . A 66 GLU HA . 34970 1 733 . 1 . 1 66 66 GLU HB2 H 1 1.618 0.03 . 2 . . 814 . A 66 GLU HB2 . 34970 1 734 . 1 . 1 66 66 GLU HB3 H 1 1.743 0.01 . 2 . . 815 . A 66 GLU HB3 . 34970 1 735 . 1 . 1 66 66 GLU HG2 H 1 1.853 0.002 . 2 . . 668 . A 66 GLU HG2 . 34970 1 736 . 1 . 1 66 66 GLU HG3 H 1 1.955 0.002 . 2 . . 669 . A 66 GLU HG3 . 34970 1 737 . 1 . 1 66 66 GLU C C 13 174.666 0.012 . 1 . . 470 . A 66 GLU C . 34970 1 738 . 1 . 1 66 66 GLU CA C 13 54.104 0.093 . 1 . . 432 . A 66 GLU CA . 34970 1 739 . 1 . 1 66 66 GLU CB C 13 33.045 0.073 . 1 . . 431 . A 66 GLU CB . 34970 1 740 . 1 . 1 66 66 GLU CG C 13 36.953 . . 1 . . 962 . A 66 GLU CG . 34970 1 741 . 1 . 1 66 66 GLU N N 15 118.933 0.033 . 1 . . 138 . A 66 GLU N . 34970 1 742 . 1 . 1 67 67 VAL H H 1 8.782 0.004 . 1 . . 146 . A 67 VAL H . 34970 1 743 . 1 . 1 67 67 VAL HA H 1 3.867 0.007 . 1 . . 206 . A 67 VAL HA . 34970 1 744 . 1 . 1 67 67 VAL HB H 1 1.878 0.007 . 1 . . 649 . A 67 VAL HB . 34970 1 745 . 1 . 1 67 67 VAL HG11 H 1 0.738 0.018 . 2 . . 650 . A 67 VAL HG11 . 34970 1 746 . 1 . 1 67 67 VAL HG12 H 1 0.738 0.018 . 2 . . 650 . A 67 VAL HG12 . 34970 1 747 . 1 . 1 67 67 VAL HG13 H 1 0.738 0.018 . 2 . . 650 . A 67 VAL HG13 . 34970 1 748 . 1 . 1 67 67 VAL HG21 H 1 0.597 0.043 . 2 . . 651 . A 67 VAL HG21 . 34970 1 749 . 1 . 1 67 67 VAL HG22 H 1 0.597 0.043 . 2 . . 651 . A 67 VAL HG22 . 34970 1 750 . 1 . 1 67 67 VAL HG23 H 1 0.597 0.043 . 2 . . 651 . A 67 VAL HG23 . 34970 1 751 . 1 . 1 67 67 VAL C C 13 175.046 0.041 . 1 . . 204 . A 67 VAL C . 34970 1 752 . 1 . 1 67 67 VAL CA C 13 61.532 0.016 . 1 . . 435 . A 67 VAL CA . 34970 1 753 . 1 . 1 67 67 VAL CB C 13 32.009 0.013 . 1 . . 860 . A 67 VAL CB . 34970 1 754 . 1 . 1 67 67 VAL CG1 C 13 20.975 . . 1 . . 957 . A 67 VAL CG1 . 34970 1 755 . 1 . 1 67 67 VAL CG2 C 13 20.975 . . 1 . . 958 . A 67 VAL CG2 . 34970 1 756 . 1 . 1 67 67 VAL N N 15 122.213 0.027 . 1 . . 147 . A 67 VAL N . 34970 1 757 . 1 . 1 68 68 VAL H H 1 7.856 0.009 . 1 . . 47 . A 68 VAL H . 34970 1 758 . 1 . 1 68 68 VAL HA H 1 3.842 0.003 . 1 . . 545 . A 68 VAL HA . 34970 1 759 . 1 . 1 68 68 VAL HB H 1 1.772 0.012 . 1 . . 812 . A 68 VAL HB . 34970 1 760 . 1 . 1 68 68 VAL HG11 H 1 0.769 0.009 . 2 . . 695 . A 68 VAL HG11 . 34970 1 761 . 1 . 1 68 68 VAL HG12 H 1 0.769 0.009 . 2 . . 695 . A 68 VAL HG12 . 34970 1 762 . 1 . 1 68 68 VAL HG13 H 1 0.769 0.009 . 2 . . 695 . A 68 VAL HG13 . 34970 1 763 . 1 . 1 68 68 VAL HG21 H 1 0.657 0.009 . 2 . . 813 . A 68 VAL HG21 . 34970 1 764 . 1 . 1 68 68 VAL HG22 H 1 0.657 0.009 . 2 . . 813 . A 68 VAL HG22 . 34970 1 765 . 1 . 1 68 68 VAL HG23 H 1 0.657 0.009 . 2 . . 813 . A 68 VAL HG23 . 34970 1 766 . 1 . 1 68 68 VAL C C 13 174.445 . . 1 . . 487 . A 68 VAL C . 34970 1 767 . 1 . 1 68 68 VAL CA C 13 63.234 0.04 . 1 . . 436 . A 68 VAL CA . 34970 1 768 . 1 . 1 68 68 VAL CB C 13 31.952 0.041 . 1 . . 205 . A 68 VAL CB . 34970 1 769 . 1 . 1 68 68 VAL CG1 C 13 21.102 . . 2 . . 955 . A 68 VAL CG1 . 34970 1 770 . 1 . 1 68 68 VAL CG2 C 13 22.111 0.015 . 2 . . 956 . A 68 VAL CG2 . 34970 1 771 . 1 . 1 68 68 VAL N N 15 127.367 0.062 . 1 . . 48 . A 68 VAL N . 34970 1 772 . 1 . 1 69 69 ASN H H 1 9.040 0.322 . 1 . . 127 . A 69 ASN H . 34970 1 773 . 1 . 1 69 69 ASN HA H 1 4.433 0.014 . 1 . . 546 . A 69 ASN HA . 34970 1 774 . 1 . 1 69 69 ASN HB2 H 1 2.755 0.008 . 2 . . 652 . A 69 ASN HB2 . 34970 1 775 . 1 . 1 69 69 ASN HB3 H 1 2.948 0.006 . 2 . . 653 . A 69 ASN HB3 . 34970 1 776 . 1 . 1 69 69 ASN HD21 H 1 6.721 0.003 . 1 . . 11 . A 69 ASN HD21 . 34970 1 777 . 1 . 1 69 69 ASN HD22 H 1 7.706 0.004 . 1 . . 18 . A 69 ASN HD22 . 34970 1 778 . 1 . 1 69 69 ASN C C 13 170.698 . . 1 . . 869 . A 69 ASN C . 34970 1 779 . 1 . 1 69 69 ASN CA C 13 53.849 . . 1 . . 438 . A 69 ASN CA . 34970 1 780 . 1 . 1 69 69 ASN CB C 13 37.387 0.019 . 1 . . 437 . A 69 ASN CB . 34970 1 781 . 1 . 1 69 69 ASN N N 15 121.770 2.41 . 1 . . 128 . A 69 ASN N . 34970 1 782 . 1 . 1 69 69 ASN ND2 N 15 113.306 0.038 . 1 . . 12 . A 69 ASN ND2 . 34970 1 783 . 1 . 1 70 70 PRO HA H 1 5.010 0.005 . 1 . . 1060 . A 70 PRO HA . 34970 1 784 . 1 . 1 70 70 PRO HB2 H 1 2.083 0.006 . 1 . . 1062 . A 70 PRO HB2 . 34970 1 785 . 1 . 1 70 70 PRO HB3 H 1 2.083 0.006 . 1 . . 1063 . A 70 PRO HB3 . 34970 1 786 . 1 . 1 70 70 PRO C C 13 176.846 0.009 . 1 . . 305 . A 70 PRO C . 34970 1 787 . 1 . 1 70 70 PRO CA C 13 62.303 . . 1 . . 1065 . A 70 PRO CA . 34970 1 788 . 1 . 1 70 70 PRO CB C 13 33.214 . . 1 . . 1066 . A 70 PRO CB . 34970 1 789 . 1 . 1 71 71 ILE H H 1 9.294 0.009 . 1 . . 156 . A 71 ILE H . 34970 1 790 . 1 . 1 71 71 ILE HA H 1 4.384 0.007 . 1 . . 712 . A 71 ILE HA . 34970 1 791 . 1 . 1 71 71 ILE HB H 1 1.925 0.008 . 1 . . 1058 . A 71 ILE HB . 34970 1 792 . 1 . 1 71 71 ILE HG12 H 1 1.215 . . 1 . . 849 . A 71 ILE HG12 . 34970 1 793 . 1 . 1 71 71 ILE HG21 H 1 0.959 0.006 . 1 . . 1064 . A 71 ILE HG21 . 34970 1 794 . 1 . 1 71 71 ILE HG22 H 1 0.959 0.006 . 1 . . 1064 . A 71 ILE HG22 . 34970 1 795 . 1 . 1 71 71 ILE HG23 H 1 0.959 0.006 . 1 . . 1064 . A 71 ILE HG23 . 34970 1 796 . 1 . 1 71 71 ILE HD11 H 1 0.778 0.01 . 1 . . 1128 . A 71 ILE HD11 . 34970 1 797 . 1 . 1 71 71 ILE HD12 H 1 0.778 0.01 . 1 . . 1128 . A 71 ILE HD12 . 34970 1 798 . 1 . 1 71 71 ILE HD13 H 1 0.778 0.01 . 1 . . 1128 . A 71 ILE HD13 . 34970 1 799 . 1 . 1 71 71 ILE C C 13 175.536 . . 1 . . 1073 . A 71 ILE C . 34970 1 800 . 1 . 1 71 71 ILE CA C 13 60.513 . . 1 . . 1067 . A 71 ILE CA . 34970 1 801 . 1 . 1 71 71 ILE N N 15 119.442 0.029 . 1 . . 157 . A 71 ILE N . 34970 1 802 . 1 . 1 72 72 PHE H H 1 8.845 0.005 . 1 . . 81 . A 72 PHE H . 34970 1 803 . 1 . 1 72 72 PHE HA H 1 4.381 0.004 . 1 . . 875 . A 72 PHE HA . 34970 1 804 . 1 . 1 72 72 PHE HB2 H 1 2.989 0.016 . 1 . . 714 . A 72 PHE HB2 . 34970 1 805 . 1 . 1 72 72 PHE HB3 H 1 2.989 0.016 . 1 . . 874 . A 72 PHE HB3 . 34970 1 806 . 1 . 1 72 72 PHE HD1 H 1 7.107 0.006 . 1 . . 1076 . A 72 PHE HD1 . 34970 1 807 . 1 . 1 72 72 PHE HD2 H 1 7.107 0.006 . 1 . . 1076 . A 72 PHE HD2 . 34970 1 808 . 1 . 1 72 72 PHE CA C 13 59.700 . . 1 . . 1068 . A 72 PHE CA . 34970 1 809 . 1 . 1 72 72 PHE CD1 C 13 129.642 . . 1 . . 1077 . A 72 PHE CD1 . 34970 1 810 . 1 . 1 72 72 PHE CD2 C 13 129.642 . . 1 . . 1077 . A 72 PHE CD2 . 34970 1 811 . 1 . 1 72 72 PHE N N 15 125.229 0.069 . 1 . . 82 . A 72 PHE N . 34970 1 812 . 1 . 1 73 73 LEU H H 1 8.018 0.005 . 1 . . 64 . A 73 LEU H . 34970 1 813 . 1 . 1 73 73 LEU HB2 H 1 1.472 0.008 . 2 . . 1087 . A 73 LEU HB2 . 34970 1 814 . 1 . 1 73 73 LEU HB3 H 1 1.472 0.008 . 2 . . 1088 . A 73 LEU HB3 . 34970 1 815 . 1 . 1 73 73 LEU HG H 1 1.232 0.011 . 1 . . 1089 . A 73 LEU HG . 34970 1 816 . 1 . 1 73 73 LEU HD11 H 1 0.559 0.011 . 2 . . 1091 . A 73 LEU HD11 . 34970 1 817 . 1 . 1 73 73 LEU HD12 H 1 0.559 0.011 . 2 . . 1091 . A 73 LEU HD12 . 34970 1 818 . 1 . 1 73 73 LEU HD13 H 1 0.559 0.011 . 2 . . 1091 . A 73 LEU HD13 . 34970 1 819 . 1 . 1 73 73 LEU HD21 H 1 0.729 0.009 . 2 . . 1092 . A 73 LEU HD21 . 34970 1 820 . 1 . 1 73 73 LEU HD22 H 1 0.729 0.009 . 2 . . 1092 . A 73 LEU HD22 . 34970 1 821 . 1 . 1 73 73 LEU HD23 H 1 0.729 0.009 . 2 . . 1092 . A 73 LEU HD23 . 34970 1 822 . 1 . 1 73 73 LEU CA C 13 53.100 . . 1 . . 846 . A 73 LEU CA . 34970 1 823 . 1 . 1 73 73 LEU CB C 13 38.938 . . 1 . . 847 . A 73 LEU CB . 34970 1 824 . 1 . 1 73 73 LEU N N 15 124.254 0.045 . 1 . . 65 . A 73 LEU N . 34970 1 825 . 1 . 1 74 74 SER HA H 1 4.345 0.002 . 1 . . 1094 . A 74 SER HA . 34970 1 826 . 1 . 1 74 74 SER HB2 H 1 3.760 0.0 . 2 . . 1095 . A 74 SER HB2 . 34970 1 827 . 1 . 1 74 74 SER HB3 H 1 3.758 0.003 . 2 . . 1096 . A 74 SER HB3 . 34970 1 828 . 1 . 1 74 74 SER CA C 13 56.291 . . 1 . . 1097 . A 74 SER CA . 34970 1 829 . 1 . 1 74 74 SER CB C 13 63.946 . . 1 . . 1086 . A 74 SER CB . 34970 1 830 . 1 . 1 75 75 ASP H H 1 8.247 0.003 . 1 . . 94 . A 75 ASP H . 34970 1 831 . 1 . 1 75 75 ASP HA H 1 4.522 0.005 . 1 . . 552 . A 75 ASP HA . 34970 1 832 . 1 . 1 75 75 ASP HB2 H 1 2.545 0.012 . 2 . . 660 . A 75 ASP HB2 . 34970 1 833 . 1 . 1 75 75 ASP HB3 H 1 2.563 0.007 . 2 . . 1093 . A 75 ASP HB3 . 34970 1 834 . 1 . 1 75 75 ASP C C 13 177.064 . . 1 . . 489 . A 75 ASP C . 34970 1 835 . 1 . 1 75 75 ASP CA C 13 54.695 . . 1 . . 929 . A 75 ASP CA . 34970 1 836 . 1 . 1 75 75 ASP CB C 13 41.133 0.063 . 1 . . 928 . A 75 ASP CB . 34970 1 837 . 1 . 1 75 75 ASP N N 15 121.865 0.054 . 1 . . 95 . A 75 ASP N . 34970 1 838 . 1 . 1 76 76 THR H H 1 8.096 0.004 . 1 . . 163 . A 76 THR H . 34970 1 839 . 1 . 1 76 76 THR HA H 1 4.121 0.007 . 1 . . 553 . A 76 THR HA . 34970 1 840 . 1 . 1 76 76 THR HG21 H 1 1.087 0.007 . 1 . . 663 . A 76 THR HG21 . 34970 1 841 . 1 . 1 76 76 THR HG22 H 1 1.087 0.007 . 1 . . 663 . A 76 THR HG22 . 34970 1 842 . 1 . 1 76 76 THR HG23 H 1 1.087 0.007 . 1 . . 663 . A 76 THR HG23 . 34970 1 843 . 1 . 1 76 76 THR C C 13 175.151 . . 1 . . 302 . A 76 THR C . 34970 1 844 . 1 . 1 76 76 THR CA C 13 62.518 0.032 . 1 . . 446 . A 76 THR CA . 34970 1 845 . 1 . 1 76 76 THR CB C 13 69.483 . . 1 . . 447 . A 76 THR CB . 34970 1 846 . 1 . 1 76 76 THR CG2 C 13 21.796 0.064 . 1 . . 954 . A 76 THR CG2 . 34970 1 847 . 1 . 1 76 76 THR N N 15 114.516 0.034 . 1 . . 164 . A 76 THR N . 34970 1 848 . 1 . 1 77 77 ALA H H 1 8.124 0.011 . 1 . . 140 . A 77 ALA H . 34970 1 849 . 1 . 1 77 77 ALA HA H 1 4.111 0.006 . 1 . . 554 . A 77 ALA HA . 34970 1 850 . 1 . 1 77 77 ALA HB1 H 1 1.220 0.014 . 1 . . 662 . A 77 ALA HB1 . 34970 1 851 . 1 . 1 77 77 ALA HB2 H 1 1.220 0.014 . 1 . . 662 . A 77 ALA HB2 . 34970 1 852 . 1 . 1 77 77 ALA HB3 H 1 1.220 0.014 . 1 . . 662 . A 77 ALA HB3 . 34970 1 853 . 1 . 1 77 77 ALA C C 13 177.913 0.004 . 1 . . 230 . A 77 ALA C . 34970 1 854 . 1 . 1 77 77 ALA CA C 13 53.114 0.017 . 1 . . 231 . A 77 ALA CA . 34970 1 855 . 1 . 1 77 77 ALA CB C 13 19.066 0.012 . 1 . . 232 . A 77 ALA CB . 34970 1 856 . 1 . 1 77 77 ALA N N 15 125.273 0.035 . 1 . . 141 . A 77 ALA N . 34970 1 857 . 1 . 1 78 78 LEU H H 1 7.757 0.009 . 1 . . 165 . A 78 LEU H . 34970 1 858 . 1 . 1 78 78 LEU HA H 1 4.204 0.009 . 1 . . 338 . A 78 LEU HA . 34970 1 859 . 1 . 1 78 78 LEU HB2 H 1 1.459 0.012 . 1 . . 671 . A 78 LEU HB2 . 34970 1 860 . 1 . 1 78 78 LEU HG H 1 1.471 . . 1 . . 672 . A 78 LEU HG . 34970 1 861 . 1 . 1 78 78 LEU HD11 H 1 0.674 0.01 . 1 . . 664 . A 78 LEU HD11 . 34970 1 862 . 1 . 1 78 78 LEU HD12 H 1 0.674 0.01 . 1 . . 664 . A 78 LEU HD12 . 34970 1 863 . 1 . 1 78 78 LEU HD13 H 1 0.674 0.01 . 1 . . 664 . A 78 LEU HD13 . 34970 1 864 . 1 . 1 78 78 LEU C C 13 176.971 0.011 . 1 . . 341 . A 78 LEU C . 34970 1 865 . 1 . 1 78 78 LEU CA C 13 55.024 0.031 . 1 . . 340 . A 78 LEU CA . 34970 1 866 . 1 . 1 78 78 LEU CB C 13 42.351 0.054 . 1 . . 339 . A 78 LEU CB . 34970 1 867 . 1 . 1 78 78 LEU N N 15 119.149 0.056 . 1 . . 166 . A 78 LEU N . 34970 1 868 . 1 . 1 79 79 ASN H H 1 8.089 0.003 . 1 . . 90 . A 79 ASN H . 34970 1 869 . 1 . 1 79 79 ASN HA H 1 4.681 0.005 . 1 . . 555 . A 79 ASN HA . 34970 1 870 . 1 . 1 79 79 ASN HB2 H 1 2.695 0.012 . 2 . . 670 . A 79 ASN HB2 . 34970 1 871 . 1 . 1 79 79 ASN HB3 H 1 2.698 0.011 . 2 . . 1081 . A 79 ASN HB3 . 34970 1 872 . 1 . 1 79 79 ASN HD21 H 1 6.879 0.006 . 1 . . 78 . A 79 ASN HD21 . 34970 1 873 . 1 . 1 79 79 ASN HD22 H 1 7.480 0.003 . 1 . . 139 . A 79 ASN HD22 . 34970 1 874 . 1 . 1 79 79 ASN C C 13 175.663 0.018 . 1 . . 490 . A 79 ASN C . 34970 1 875 . 1 . 1 79 79 ASN CA C 13 53.398 . . 1 . . 1101 . A 79 ASN CA . 34970 1 876 . 1 . 1 79 79 ASN CB C 13 39.010 . . 1 . . 1100 . A 79 ASN CB . 34970 1 877 . 1 . 1 79 79 ASN N N 15 118.221 0.037 . 1 . . 91 . A 79 ASN N . 34970 1 878 . 1 . 1 79 79 ASN ND2 N 15 112.705 0.076 . 1 . . 324 . A 79 ASN ND2 . 34970 1 879 . 1 . 1 80 80 GLY H H 1 8.280 0.002 . 1 . . 351 . A 80 GLY H . 34970 1 880 . 1 . 1 80 80 GLY HA2 H 1 3.820 0.015 . 2 . . 556 . A 80 GLY HA2 . 34970 1 881 . 1 . 1 80 80 GLY HA3 H 1 3.814 0.006 . 2 . . 1074 . A 80 GLY HA3 . 34970 1 882 . 1 . 1 80 80 GLY C C 13 174.033 . . 1 . . 491 . A 80 GLY C . 34970 1 883 . 1 . 1 80 80 GLY CA C 13 45.752 0.067 . 1 . . 450 . A 80 GLY CA . 34970 1 884 . 1 . 1 80 80 GLY N N 15 109.214 0.077 . 1 . . 352 . A 80 GLY N . 34970 1 885 . 1 . 1 81 81 ASN H H 1 8.080 . . 1 . . 365 . A 81 ASN H . 34970 1 886 . 1 . 1 81 81 ASN HA H 1 4.138 0.007 . 1 . . 719 . A 81 ASN HA . 34970 1 887 . 1 . 1 81 81 ASN HB2 H 1 2.696 0.0 . 1 . . 1082 . A 81 ASN HB2 . 34970 1 888 . 1 . 1 81 81 ASN HB3 H 1 2.696 0.0 . 1 . . 1083 . A 81 ASN HB3 . 34970 1 889 . 1 . 1 81 81 ASN HD21 H 1 7.526 0.002 . 1 . . 56 . A 81 ASN HD21 . 34970 1 890 . 1 . 1 81 81 ASN HD22 H 1 6.849 0.005 . 1 . . 89 . A 81 ASN HD22 . 34970 1 891 . 1 . 1 81 81 ASN C C 13 175.141 . . 1 . . 870 . A 81 ASN C . 34970 1 892 . 1 . 1 81 81 ASN CA C 13 53.269 0.002 . 1 . . 448 . A 81 ASN CA . 34970 1 893 . 1 . 1 81 81 ASN CB C 13 38.983 0.061 . 1 . . 449 . A 81 ASN CB . 34970 1 894 . 1 . 1 81 81 ASN N N 15 118.273 . . 1 . . 366 . A 81 ASN N . 34970 1 895 . 1 . 1 81 81 ASN ND2 N 15 112.729 0.069 . 1 . . 57 . A 81 ASN ND2 . 34970 1 896 . 1 . 1 82 82 SER H H 1 8.088 0.003 . 1 . . 129 . A 82 SER H . 34970 1 897 . 1 . 1 82 82 SER HA H 1 4.361 0.013 . 1 . . 551 . A 82 SER HA . 34970 1 898 . 1 . 1 82 82 SER HB2 H 1 3.779 0.015 . 2 . . 661 . A 82 SER HB2 . 34970 1 899 . 1 . 1 82 82 SER HB3 H 1 3.781 0.014 . 2 . . 816 . A 82 SER HB3 . 34970 1 900 . 1 . 1 82 82 SER C C 13 174.177 . . 1 . . 1070 . A 82 SER C . 34970 1 901 . 1 . 1 82 82 SER CA C 13 58.527 0.079 . 1 . . 1071 . A 82 SER CA . 34970 1 902 . 1 . 1 82 82 SER CB C 13 63.857 0.014 . 1 . . 1072 . A 82 SER CB . 34970 1 903 . 1 . 1 82 82 SER N N 15 115.489 0.107 . 1 . . 130 . A 82 SER N . 34970 1 904 . 1 . 1 83 83 VAL H H 1 8.006 0.014 . 1 . . 62 . A 83 VAL H . 34970 1 905 . 1 . 1 83 83 VAL HA H 1 4.030 0.019 . 1 . . 537 . A 83 VAL HA . 34970 1 906 . 1 . 1 83 83 VAL HB H 1 1.987 0.008 . 1 . . 673 . A 83 VAL HB . 34970 1 907 . 1 . 1 83 83 VAL HG11 H 1 0.820 0.009 . 2 . . 674 . A 83 VAL HG11 . 34970 1 908 . 1 . 1 83 83 VAL HG12 H 1 0.820 0.009 . 2 . . 674 . A 83 VAL HG12 . 34970 1 909 . 1 . 1 83 83 VAL HG13 H 1 0.820 0.009 . 2 . . 674 . A 83 VAL HG13 . 34970 1 910 . 1 . 1 83 83 VAL HG21 H 1 0.837 . . 2 . . 953 . A 83 VAL HG21 . 34970 1 911 . 1 . 1 83 83 VAL HG22 H 1 0.837 . . 2 . . 953 . A 83 VAL HG22 . 34970 1 912 . 1 . 1 83 83 VAL HG23 H 1 0.837 . . 2 . . 953 . A 83 VAL HG23 . 34970 1 913 . 1 . 1 83 83 VAL C C 13 175.411 0.017 . 1 . . 485 . A 83 VAL C . 34970 1 914 . 1 . 1 83 83 VAL CA C 13 62.173 0.061 . 1 . . 452 . A 83 VAL CA . 34970 1 915 . 1 . 1 83 83 VAL CB C 13 32.293 0.023 . 1 . . 451 . A 83 VAL CB . 34970 1 916 . 1 . 1 83 83 VAL CG1 C 13 20.863 . . 1 . . 951 . A 83 VAL CG1 . 34970 1 917 . 1 . 1 83 83 VAL CG2 C 13 20.863 . . 1 . . 952 . A 83 VAL CG2 . 34970 1 918 . 1 . 1 83 83 VAL N N 15 120.626 0.075 . 1 . . 63 . A 83 VAL N . 34970 1 919 . 1 . 1 84 84 ALA H H 1 8.177 0.01 . 1 . . 45 . A 84 ALA H . 34970 1 920 . 1 . 1 84 84 ALA HA H 1 4.469 0.003 . 1 . . 557 . A 84 ALA HA . 34970 1 921 . 1 . 1 84 84 ALA HB1 H 1 1.222 0.003 . 1 . . 923 . A 84 ALA HB1 . 34970 1 922 . 1 . 1 84 84 ALA HB2 H 1 1.222 0.003 . 1 . . 923 . A 84 ALA HB2 . 34970 1 923 . 1 . 1 84 84 ALA HB3 H 1 1.222 0.003 . 1 . . 923 . A 84 ALA HB3 . 34970 1 924 . 1 . 1 84 84 ALA C C 13 174.920 0.006 . 1 . . 486 . A 84 ALA C . 34970 1 925 . 1 . 1 84 84 ALA CA C 13 50.174 . . 1 . . 453 . A 84 ALA CA . 34970 1 926 . 1 . 1 84 84 ALA CB C 13 18.535 0.031 . 1 . . 454 . A 84 ALA CB . 34970 1 927 . 1 . 1 84 84 ALA N N 15 128.286 0.069 . 1 . . 46 . A 84 ALA N . 34970 1 928 . 1 . 1 85 85 PRO HA H 1 4.340 0.004 . 1 . . 559 . A 85 PRO HA . 34970 1 929 . 1 . 1 85 85 PRO HB2 H 1 1.840 0.01 . 2 . . 677 . A 85 PRO HB2 . 34970 1 930 . 1 . 1 85 85 PRO HB3 H 1 2.012 0.012 . 2 . . 948 . A 85 PRO HB3 . 34970 1 931 . 1 . 1 85 85 PRO HG2 H 1 1.721 . . 2 . . 949 . A 85 PRO HG2 . 34970 1 932 . 1 . 1 85 85 PRO HG3 H 1 1.658 . . 2 . . 950 . A 85 PRO HG3 . 34970 1 933 . 1 . 1 85 85 PRO C C 13 175.886 0.008 . 1 . . 291 . A 85 PRO C . 34970 1 934 . 1 . 1 85 85 PRO CA C 13 62.694 0.021 . 1 . . 456 . A 85 PRO CA . 34970 1 935 . 1 . 1 85 85 PRO CB C 13 32.346 . . 1 . . 455 . A 85 PRO CB . 34970 1 936 . 1 . 1 85 85 PRO CG C 13 27.062 . . 1 . . 947 . A 85 PRO CG . 34970 1 937 . 1 . 1 86 86 ALA H H 1 8.164 0.003 . 1 . . 148 . A 86 ALA H . 34970 1 938 . 1 . 1 86 86 ALA HA H 1 4.226 0.012 . 1 . . 558 . A 86 ALA HA . 34970 1 939 . 1 . 1 86 86 ALA HB1 H 1 1.206 0.015 . 1 . . 675 . A 86 ALA HB1 . 34970 1 940 . 1 . 1 86 86 ALA HB2 H 1 1.206 0.015 . 1 . . 675 . A 86 ALA HB2 . 34970 1 941 . 1 . 1 86 86 ALA HB3 H 1 1.206 0.015 . 1 . . 675 . A 86 ALA HB3 . 34970 1 942 . 1 . 1 86 86 ALA C C 13 176.990 0.006 . 1 . . 217 . A 86 ALA C . 34970 1 943 . 1 . 1 86 86 ALA CA C 13 52.540 0.052 . 1 . . 218 . A 86 ALA CA . 34970 1 944 . 1 . 1 86 86 ALA CB C 13 19.747 0.042 . 1 . . 219 . A 86 ALA CB . 34970 1 945 . 1 . 1 86 86 ALA N N 15 123.597 0.132 . 1 . . 149 . A 86 ALA N . 34970 1 946 . 1 . 1 87 87 LEU H H 1 8.176 0.004 . 1 . . 96 . A 87 LEU H . 34970 1 947 . 1 . 1 87 87 LEU HA H 1 4.376 0.01 . 1 . . 560 . A 87 LEU HA . 34970 1 948 . 1 . 1 87 87 LEU HB2 H 1 1.668 . . 1 . . 680 . A 87 LEU HB2 . 34970 1 949 . 1 . 1 87 87 LEU HB3 H 1 1.668 . . 1 . . 1098 . A 87 LEU HB3 . 34970 1 950 . 1 . 1 87 87 LEU HG H 1 1.317 0.025 . 1 . . 679 . A 87 LEU HG . 34970 1 951 . 1 . 1 87 87 LEU HD11 H 1 0.697 0.0 . 2 . . 678 . A 87 LEU HD11 . 34970 1 952 . 1 . 1 87 87 LEU HD12 H 1 0.697 0.0 . 2 . . 678 . A 87 LEU HD12 . 34970 1 953 . 1 . 1 87 87 LEU HD13 H 1 0.697 0.0 . 2 . . 678 . A 87 LEU HD13 . 34970 1 954 . 1 . 1 87 87 LEU HD21 H 1 0.107 0.006 . 2 . . 1075 . A 87 LEU HD21 . 34970 1 955 . 1 . 1 87 87 LEU HD22 H 1 0.107 0.006 . 2 . . 1075 . A 87 LEU HD22 . 34970 1 956 . 1 . 1 87 87 LEU HD23 H 1 0.107 0.006 . 2 . . 1075 . A 87 LEU HD23 . 34970 1 957 . 1 . 1 87 87 LEU C C 13 174.271 . . 1 . . 492 . A 87 LEU C . 34970 1 958 . 1 . 1 87 87 LEU CA C 13 55.170 0.027 . 1 . . 457 . A 87 LEU CA . 34970 1 959 . 1 . 1 87 87 LEU CB C 13 42.431 . . 1 . . 275 . A 87 LEU CB . 34970 1 960 . 1 . 1 87 87 LEU N N 15 120.786 0.054 . 1 . . 97 . A 87 LEU N . 34970 1 961 . 1 . 1 88 88 ASN H H 1 8.367 0.01 . 1 . . 92 . A 88 ASN H . 34970 1 962 . 1 . 1 88 88 ASN HA H 1 5.569 0.004 . 1 . . 561 . A 88 ASN HA . 34970 1 963 . 1 . 1 88 88 ASN HB2 H 1 2.265 0.006 . 2 . . 681 . A 88 ASN HB2 . 34970 1 964 . 1 . 1 88 88 ASN HB3 H 1 2.622 0.008 . 2 . . 682 . A 88 ASN HB3 . 34970 1 965 . 1 . 1 88 88 ASN HD21 H 1 7.139 0.007 . 1 . . 15 . A 88 ASN HD21 . 34970 1 966 . 1 . 1 88 88 ASN HD22 H 1 6.306 0.004 . 1 . . 347 . A 88 ASN HD22 . 34970 1 967 . 1 . 1 88 88 ASN C C 13 173.787 . . 1 . . 287 . A 88 ASN C . 34970 1 968 . 1 . 1 88 88 ASN CA C 13 52.315 0.027 . 1 . . 458 . A 88 ASN CA . 34970 1 969 . 1 . 1 88 88 ASN CB C 13 42.293 0.091 . 1 . . 459 . A 88 ASN CB . 34970 1 970 . 1 . 1 88 88 ASN N N 15 124.393 0.046 . 1 . . 93 . A 88 ASN N . 34970 1 971 . 1 . 1 88 88 ASN ND2 N 15 111.481 0.06 . 1 . . 348 . A 88 ASN ND2 . 34970 1 972 . 1 . 1 89 89 VAL H H 1 8.600 0.012 . 1 . . 83 . A 89 VAL H . 34970 1 973 . 1 . 1 89 89 VAL HA H 1 4.871 0.008 . 1 . . 562 . A 89 VAL HA . 34970 1 974 . 1 . 1 89 89 VAL HB H 1 2.093 0.006 . 1 . . 684 . A 89 VAL HB . 34970 1 975 . 1 . 1 89 89 VAL HG11 H 1 0.745 0.008 . 2 . . 683 . A 89 VAL HG11 . 34970 1 976 . 1 . 1 89 89 VAL HG12 H 1 0.745 0.008 . 2 . . 683 . A 89 VAL HG12 . 34970 1 977 . 1 . 1 89 89 VAL HG13 H 1 0.745 0.008 . 2 . . 683 . A 89 VAL HG13 . 34970 1 978 . 1 . 1 89 89 VAL HG21 H 1 0.758 0.014 . 2 . . 839 . A 89 VAL HG21 . 34970 1 979 . 1 . 1 89 89 VAL HG22 H 1 0.758 0.014 . 2 . . 839 . A 89 VAL HG22 . 34970 1 980 . 1 . 1 89 89 VAL HG23 H 1 0.758 0.014 . 2 . . 839 . A 89 VAL HG23 . 34970 1 981 . 1 . 1 89 89 VAL C C 13 173.853 . . 1 . . 314 . A 89 VAL C . 34970 1 982 . 1 . 1 89 89 VAL CA C 13 59.471 0.053 . 1 . . 460 . A 89 VAL CA . 34970 1 983 . 1 . 1 89 89 VAL CG1 C 13 21.635 . . 1 . . 946 . A 89 VAL CG1 . 34970 1 984 . 1 . 1 89 89 VAL N N 15 118.883 0.039 . 1 . . 84 . A 89 VAL N . 34970 1 985 . 1 . 1 90 90 PHE H H 1 9.262 0.012 . 1 . . 72 . A 90 PHE H . 34970 1 986 . 1 . 1 90 90 PHE HA H 1 5.594 0.014 . 1 . . 563 . A 90 PHE HA . 34970 1 987 . 1 . 1 90 90 PHE HB2 H 1 2.775 0.025 . 2 . . 837 . A 90 PHE HB2 . 34970 1 988 . 1 . 1 90 90 PHE HB3 H 1 2.837 0.019 . 2 . . 1032 . A 90 PHE HB3 . 34970 1 989 . 1 . 1 90 90 PHE HD1 H 1 6.855 0.01 . 1 . . 685 . A 90 PHE HD1 . 34970 1 990 . 1 . 1 90 90 PHE HD2 H 1 6.855 0.01 . 1 . . 685 . A 90 PHE HD2 . 34970 1 991 . 1 . 1 90 90 PHE HE1 H 1 7.088 0.018 . 1 . . 878 . A 90 PHE HE1 . 34970 1 992 . 1 . 1 90 90 PHE HE2 H 1 7.088 0.018 . 1 . . 878 . A 90 PHE HE2 . 34970 1 993 . 1 . 1 90 90 PHE C C 13 173.290 0.001 . 1 . . 281 . A 90 PHE C . 34970 1 994 . 1 . 1 90 90 PHE CA C 13 55.364 0.069 . 1 . . 461 . A 90 PHE CA . 34970 1 995 . 1 . 1 90 90 PHE CB C 13 42.009 0.022 . 1 . . 462 . A 90 PHE CB . 34970 1 996 . 1 . 1 90 90 PHE CD1 C 13 129.931 . . 1 . . 1030 . A 90 PHE CD1 . 34970 1 997 . 1 . 1 90 90 PHE CD2 C 13 129.931 . . 1 . . 1030 . A 90 PHE CD2 . 34970 1 998 . 1 . 1 90 90 PHE CE1 C 13 129.766 . . 1 . . 1034 . A 90 PHE CE1 . 34970 1 999 . 1 . 1 90 90 PHE CE2 C 13 129.766 . . 1 . . 1034 . A 90 PHE CE2 . 34970 1 1000 . 1 . 1 90 90 PHE N N 15 125.722 0.028 . 1 . . 73 . A 90 PHE N . 34970 1 1001 . 1 . 1 91 91 ALA H H 1 8.466 0.007 . 1 . . 125 . A 91 ALA H . 34970 1 1002 . 1 . 1 91 91 ALA HA H 1 4.610 0.004 . 1 . . 564 . A 91 ALA HA . 34970 1 1003 . 1 . 1 91 91 ALA HB1 H 1 0.850 0.029 . 1 . . 178 . A 91 ALA HB1 . 34970 1 1004 . 1 . 1 91 91 ALA HB2 H 1 0.850 0.029 . 1 . . 178 . A 91 ALA HB2 . 34970 1 1005 . 1 . 1 91 91 ALA HB3 H 1 0.850 0.029 . 1 . . 178 . A 91 ALA HB3 . 34970 1 1006 . 1 . 1 91 91 ALA C C 13 173.778 0.001 . 1 . . 175 . A 91 ALA C . 34970 1 1007 . 1 . 1 91 91 ALA CA C 13 49.931 0.021 . 1 . . 176 . A 91 ALA CA . 34970 1 1008 . 1 . 1 91 91 ALA CB C 13 23.002 0.06 . 1 . . 177 . A 91 ALA CB . 34970 1 1009 . 1 . 1 91 91 ALA N N 15 129.035 0.039 . 1 . . 126 . A 91 ALA N . 34970 1 1010 . 1 . 1 92 92 GLU H H 1 7.505 0.005 . 1 . . 13 . A 92 GLU H . 34970 1 1011 . 1 . 1 92 92 GLU HA H 1 3.693 0.013 . 1 . . 565 . A 92 GLU HA . 34970 1 1012 . 1 . 1 92 92 GLU HB2 H 1 1.787 0.014 . 2 . . 686 . A 92 GLU HB2 . 34970 1 1013 . 1 . 1 92 92 GLU HB3 H 1 1.922 0.005 . 2 . . 687 . A 92 GLU HB3 . 34970 1 1014 . 1 . 1 92 92 GLU HG2 H 1 2.097 0.011 . 2 . . 688 . A 92 GLU HG2 . 34970 1 1015 . 1 . 1 92 92 GLU HG3 H 1 2.347 0.006 . 2 . . 689 . A 92 GLU HG3 . 34970 1 1016 . 1 . 1 92 92 GLU C C 13 177.235 0.012 . 1 . . 253 . A 92 GLU C . 34970 1 1017 . 1 . 1 92 92 GLU CA C 13 58.965 0.019 . 1 . . 255 . A 92 GLU CA . 34970 1 1018 . 1 . 1 92 92 GLU CB C 13 31.091 0.072 . 1 . . 254 . A 92 GLU CB . 34970 1 1019 . 1 . 1 92 92 GLU N N 15 117.221 0.04 . 1 . . 14 . A 92 GLU N . 34970 1 1020 . 1 . 1 93 93 LYS H H 1 7.213 0.009 . 1 . . 76 . A 93 LYS H . 34970 1 1021 . 1 . 1 93 93 LYS HA H 1 4.351 0.011 . 1 . . 252 . A 93 LYS HA . 34970 1 1022 . 1 . 1 93 93 LYS HB2 H 1 1.701 . . 2 . . 834 . A 93 LYS HB2 . 34970 1 1023 . 1 . 1 93 93 LYS HB3 H 1 2.127 0.003 . 2 . . 835 . A 93 LYS HB3 . 34970 1 1024 . 1 . 1 93 93 LYS HG2 H 1 1.502 0.003 . 1 . . 690 . A 93 LYS HG2 . 34970 1 1025 . 1 . 1 93 93 LYS HG3 H 1 1.502 0.003 . 1 . . 836 . A 93 LYS HG3 . 34970 1 1026 . 1 . 1 93 93 LYS HE2 H 1 2.749 0.006 . 1 . . 944 . A 93 LYS HE2 . 34970 1 1027 . 1 . 1 93 93 LYS HE3 H 1 2.749 0.006 . 1 . . 945 . A 93 LYS HE3 . 34970 1 1028 . 1 . 1 93 93 LYS C C 13 172.980 0.014 . 1 . . 251 . A 93 LYS C . 34970 1 1029 . 1 . 1 93 93 LYS CA C 13 55.149 0.024 . 1 . . 250 . A 93 LYS CA . 34970 1 1030 . 1 . 1 93 93 LYS CB C 13 33.964 0.072 . 1 . . 249 . A 93 LYS CB . 34970 1 1031 . 1 . 1 93 93 LYS CG C 13 23.390 . . 1 . . 942 . A 93 LYS CG . 34970 1 1032 . 1 . 1 93 93 LYS CD C 13 29.433 . . 1 . . 943 . A 93 LYS CD . 34970 1 1033 . 1 . 1 93 93 LYS N N 15 107.090 0.042 . 1 . . 77 . A 93 LYS N . 34970 1 1034 . 1 . 1 94 94 LEU H H 1 7.777 0.005 . 1 . . 119 . A 94 LEU H . 34970 1 1035 . 1 . 1 94 94 LEU HA H 1 4.934 0.009 . 1 . . 174 . A 94 LEU HA . 34970 1 1036 . 1 . 1 94 94 LEU HB2 H 1 0.935 0.013 . 1 . . 691 . A 94 LEU HB2 . 34970 1 1037 . 1 . 1 94 94 LEU HB3 H 1 0.935 0.013 . 1 . . 693 . A 94 LEU HB3 . 34970 1 1038 . 1 . 1 94 94 LEU HG H 1 0.458 0.001 . 1 . . 692 . A 94 LEU HG . 34970 1 1039 . 1 . 1 94 94 LEU HD11 H 1 -0.154 0.002 . 2 . . 832 . A 94 LEU HD11 . 34970 1 1040 . 1 . 1 94 94 LEU HD12 H 1 -0.154 0.002 . 2 . . 832 . A 94 LEU HD12 . 34970 1 1041 . 1 . 1 94 94 LEU HD13 H 1 -0.154 0.002 . 2 . . 832 . A 94 LEU HD13 . 34970 1 1042 . 1 . 1 94 94 LEU HD21 H 1 0.230 0.01 . 2 . . 833 . A 94 LEU HD21 . 34970 1 1043 . 1 . 1 94 94 LEU HD22 H 1 0.230 0.01 . 2 . . 833 . A 94 LEU HD22 . 34970 1 1044 . 1 . 1 94 94 LEU HD23 H 1 0.230 0.01 . 2 . . 833 . A 94 LEU HD23 . 34970 1 1045 . 1 . 1 94 94 LEU C C 13 175.562 0.015 . 1 . . 171 . A 94 LEU C . 34970 1 1046 . 1 . 1 94 94 LEU CA C 13 52.781 0.022 . 1 . . 173 . A 94 LEU CA . 34970 1 1047 . 1 . 1 94 94 LEU CB C 13 43.967 0.082 . 1 . . 172 . A 94 LEU CB . 34970 1 1048 . 1 . 1 94 94 LEU CG C 13 25.271 . . 1 . . 941 . A 94 LEU CG . 34970 1 1049 . 1 . 1 94 94 LEU CD1 C 13 24.870 . . 2 . . 1035 . A 94 LEU CD1 . 34970 1 1050 . 1 . 1 94 94 LEU CD2 C 13 24.986 . . 2 . . 1036 . A 94 LEU CD2 . 34970 1 1051 . 1 . 1 94 94 LEU N N 15 118.295 0.047 . 1 . . 120 . A 94 LEU N . 34970 1 1052 . 1 . 1 95 95 VAL H H 1 8.333 0.006 . 1 . . 60 . A 95 VAL H . 34970 1 1053 . 1 . 1 95 95 VAL HA H 1 4.429 0.001 . 1 . . 566 . A 95 VAL HA . 34970 1 1054 . 1 . 1 95 95 VAL HB H 1 1.863 0.005 . 1 . . 694 . A 95 VAL HB . 34970 1 1055 . 1 . 1 95 95 VAL HG11 H 1 0.777 0.005 . 2 . . 696 . A 95 VAL HG11 . 34970 1 1056 . 1 . 1 95 95 VAL HG12 H 1 0.777 0.005 . 2 . . 696 . A 95 VAL HG12 . 34970 1 1057 . 1 . 1 95 95 VAL HG13 H 1 0.777 0.005 . 2 . . 696 . A 95 VAL HG13 . 34970 1 1058 . 1 . 1 95 95 VAL HG21 H 1 0.658 0.01 . 2 . . 697 . A 95 VAL HG21 . 34970 1 1059 . 1 . 1 95 95 VAL HG22 H 1 0.658 0.01 . 2 . . 697 . A 95 VAL HG22 . 34970 1 1060 . 1 . 1 95 95 VAL HG23 H 1 0.658 0.01 . 2 . . 697 . A 95 VAL HG23 . 34970 1 1061 . 1 . 1 95 95 VAL C C 13 175.093 0.002 . 1 . . 280 . A 95 VAL C . 34970 1 1062 . 1 . 1 95 95 VAL CA C 13 59.763 0.03 . 1 . . 279 . A 95 VAL CA . 34970 1 1063 . 1 . 1 95 95 VAL CB C 13 35.601 0.057 . 1 . . 346 . A 95 VAL CB . 34970 1 1064 . 1 . 1 95 95 VAL CG1 C 13 20.586 . . 2 . . 937 . A 95 VAL CG1 . 34970 1 1065 . 1 . 1 95 95 VAL CG2 C 13 21.790 0.027 . 2 . . 936 . A 95 VAL CG2 . 34970 1 1066 . 1 . 1 95 95 VAL N N 15 115.470 0.027 . 1 . . 61 . A 95 VAL N . 34970 1 1067 . 1 . 1 96 96 LEU H H 1 8.596 0.011 . 1 . . 332 . A 96 LEU H . 34970 1 1068 . 1 . 1 96 96 LEU HA H 1 4.330 0.012 . 1 . . 567 . A 96 LEU HA . 34970 1 1069 . 1 . 1 96 96 LEU HB2 H 1 1.553 0.007 . 2 . . 699 . A 96 LEU HB2 . 34970 1 1070 . 1 . 1 96 96 LEU HB3 H 1 1.560 0.011 . 2 . . 830 . A 96 LEU HB3 . 34970 1 1071 . 1 . 1 96 96 LEU HD11 H 1 0.855 0.003 . 1 . . 883 . A 96 LEU HD11 . 34970 1 1072 . 1 . 1 96 96 LEU HD12 H 1 0.855 0.003 . 1 . . 883 . A 96 LEU HD12 . 34970 1 1073 . 1 . 1 96 96 LEU HD13 H 1 0.855 0.003 . 1 . . 883 . A 96 LEU HD13 . 34970 1 1074 . 1 . 1 96 96 LEU C C 13 176.684 0.011 . 1 . . 493 . A 96 LEU C . 34970 1 1075 . 1 . 1 96 96 LEU CA C 13 55.796 0.143 . 1 . . 463 . A 96 LEU CA . 34970 1 1076 . 1 . 1 96 96 LEU CB C 13 42.283 0.044 . 1 . . 464 . A 96 LEU CB . 34970 1 1077 . 1 . 1 96 96 LEU CG C 13 27.389 . . 1 . . 934 . A 96 LEU CG . 34970 1 1078 . 1 . 1 96 96 LEU N N 15 125.098 0.049 . 1 . . 333 . A 96 LEU N . 34970 1 1079 . 1 . 1 97 97 LYS H H 1 8.283 0.003 . 1 . . 123 . A 97 LYS H . 34970 1 1080 . 1 . 1 97 97 LYS HA H 1 4.229 0.005 . 1 . . 569 . A 97 LYS HA . 34970 1 1081 . 1 . 1 97 97 LYS HB2 H 1 1.643 0.008 . 2 . . 700 . A 97 LYS HB2 . 34970 1 1082 . 1 . 1 97 97 LYS HB3 H 1 1.260 0.003 . 2 . . 827 . A 97 LYS HB3 . 34970 1 1083 . 1 . 1 97 97 LYS HG2 H 1 1.457 . . 1 . . 828 . A 97 LYS HG2 . 34970 1 1084 . 1 . 1 97 97 LYS HG3 H 1 1.457 . . 1 . . 829 . A 97 LYS HG3 . 34970 1 1085 . 1 . 1 97 97 LYS C C 13 174.985 0.002 . 1 . . 494 . A 97 LYS C . 34970 1 1086 . 1 . 1 97 97 LYS CA C 13 55.894 0.048 . 1 . . 498 . A 97 LYS CA . 34970 1 1087 . 1 . 1 97 97 LYS CB C 13 32.805 0.057 . 1 . . 465 . A 97 LYS CB . 34970 1 1088 . 1 . 1 97 97 LYS CG C 13 24.764 . . 1 . . 933 . A 97 LYS CG . 34970 1 1089 . 1 . 1 97 97 LYS CD C 13 30.335 . . 1 . . 938 . A 97 LYS CD . 34970 1 1090 . 1 . 1 97 97 LYS N N 15 126.538 0.047 . 1 . . 124 . A 97 LYS N . 34970 1 1091 . 1 . 1 98 98 LYS H H 1 7.979 0.007 . 1 . . 66 . A 98 LYS H . 34970 1 1092 . 1 . 1 98 98 LYS HA H 1 4.106 0.007 . 1 . . 570 . A 98 LYS HA . 34970 1 1093 . 1 . 1 98 98 LYS HB2 H 1 1.606 0.002 . 2 . . 702 . A 98 LYS HB2 . 34970 1 1094 . 1 . 1 98 98 LYS HB3 H 1 1.733 0.008 . 2 . . 703 . A 98 LYS HB3 . 34970 1 1095 . 1 . 1 98 98 LYS HG2 H 1 1.273 0.017 . 1 . . 701 . A 98 LYS HG2 . 34970 1 1096 . 1 . 1 98 98 LYS HG3 H 1 1.273 0.017 . 1 . . 826 . A 98 LYS HG3 . 34970 1 1097 . 1 . 1 98 98 LYS HD2 H 1 1.878 0.019 . 2 . . 704 . A 98 LYS HD2 . 34970 1 1098 . 1 . 1 98 98 LYS HD3 H 1 1.869 . . 2 . . 825 . A 98 LYS HD3 . 34970 1 1099 . 1 . 1 98 98 LYS HE2 H 1 2.840 0.039 . 2 . . 705 . A 98 LYS HE2 . 34970 1 1100 . 1 . 1 98 98 LYS HE3 H 1 2.918 . . 2 . . 824 . A 98 LYS HE3 . 34970 1 1101 . 1 . 1 98 98 LYS C C 13 180.934 . . 1 . . 495 . A 98 LYS C . 34970 1 1102 . 1 . 1 98 98 LYS CA C 13 57.671 0.041 . 1 . . 496 . A 98 LYS CA . 34970 1 1103 . 1 . 1 98 98 LYS CB C 13 33.926 0.01 . 1 . . 497 . A 98 LYS CB . 34970 1 1104 . 1 . 1 98 98 LYS CG C 13 24.622 . . 1 . . 1010 . A 98 LYS CG . 34970 1 1105 . 1 . 1 98 98 LYS N N 15 130.708 0.061 . 1 . . 67 . A 98 LYS N . 34970 1 stop_ save_